annotate CADDSuite/data/QSAR/dragon_descriptors.txt @ 3:ff6df146c0d5

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MW	molecular weight
AMW	average molecular weight
Sv	sum of atomic van der Waals volumes (scaled on Carbon atom)
Se	sum of atomic Sanderson electronegativities (scaled on Carbon atom)
Sp	sum of atomic polarizabilities (scaled on Carbon atom)
Ss	sum of Kier-Hall electrotopological states
Mv	mean atomic van der Waals volume (scaled on Carbon atom)
Me	mean atomic Sanderson electronegativity (scaled on Carbon atom)
Mp	mean atomic polarizability (scaled on Carbon atom)
Ms	mean electrotopological state
nAT	number of atoms
nSK	number of non-H atoms
nBT	number of bonds
nBO	number of non-H bonds
nBM	number of multiple bonds
SCBO	sum of conventional bond orders (H-depleted)
ARR	aromatic ratio
nCIC	number of rings
nCIR	number of circuits
RBN	number of rotatable bonds
RBF	rotatable bond fraction
nDB	number of double bonds
nTB	number of triple bonds
nAB	number of aromatic bonds
nH	number of Hydrogen atoms
nC	number of Carbon atoms
nN	number of Nitrogen atoms
nO	number of Oxygen atoms
nP	number of Phosphorous atoms
nS	number of Sulfur atoms
nF	number of Fluorine atoms
nCL	number of Chlorine atoms
nBR	number of Bromine atoms
nI	number of Iodine atoms
nB	number of Boron atoms
nHM	number of heavy atoms
nX	number of halogen atoms
nR03	number of 3-membered rings
nR04	number of 4-membered rings
nR05	number of 5-membered rings
nR06	number of 6-membered rings
nR07	number of 7-membered rings
nR08	number of 8-membered rings
nR09	number of 9-membered rings
nR10	number of 10-membered rings
nR11	number of 11-membered rings
nR12	number of 12-membered rings
nBnz	number of benzene-like rings
ZM1	first Zagreb index M1
ZM1V	first Zagreb index by valence vertex degrees
ZM2	second Zagreb index M2
ZM2V	second Zagreb index by valence vertex degrees
Qindex	Quadratic index
SNar	Narumi simple topological index (log)
HNar	Narumi harmonic topological index
GNar	Narumi geometric topological index
Xt	Total structure connectivity index
Dz	Pogliani index
Ram	ramification index
Pol	polarity number
LPRS	log of product of row sums (PRS)
VDA	average vertex distance degree
MSD	mean square distance index (Balaban)
SMTI	Schultz Molecular Topological Index (MTI)
SMTIV	Schultz MTI by valence vertex degrees
GMTI	Gutman Molecular Topological Index
GMTIV	Gutman MTI by valence vertex degrees
Xu	Xu index
SPI	superpendentic index
W	Wiener W index
WA	mean Wiener index
Har	Harary H index
Har2	square reciprocal distance sum index
QW	quasi-Wiener index (Kirchhoff number)
TI1	first Mohar index TI1
TI2	second Mohar index TI2
STN	spanning tree number (log)
HyDp	hyper-distance-path index
RHyDp	reciprocal hyper-distance-path index
w	detour index
ww	hyper-detour index
Rww	reciprocal hyper-detour index
D/D	distance/detour index
Wap	all-path Wiener index
WhetZ	Wiener-type index from Z weighted distance matrix (Barysz matrix)
Whetm	Wiener-type index from mass weighted distance matrix
Whetv	Wiener-type index from van der Waals weighted distance matrix
Whete	Wiener-type index from electronegativity weighted distance matrix
Whetp	Wiener-type index from polarizability weighted distance matrix
J	Balaban distance connectivity index
JhetZ	Balaban-type index from Z weighted distance matrix (Barysz matrix)
Jhetm	Balaban-type index from mass weighted distance matrix
Jhetv	Balaban-type index from van der Waals weighted distance matrix
Jhete	Balaban-type index from electronegativity weighted distance matrix
Jhetp	Balaban-type index from polarizability weighted distance matrix
MAXDN	maximal electrotopological negative variation
MAXDP	maximal electrotopological positive variation
DELS	molecular electrotopological variation
TIE	E-state topological parameter
S0K	Kier symmetry index
S1K	1-path Kier alpha-modified shape index
S2K	2-path Kier alpha-modified shape index
S3K	3-path Kier alpha-modified shape index
PHI	Kier flexibility index
BLI	Kier benzene-likeliness index
PW2	path/walk 2 - Randic shape index
PW3	path/walk 3 - Randic shape index
PW4	path/walk 4 - Randic shape index
PW5	path/walk 5 - Randic shape index
PJI2	2D Petitjean shape index
CSI	eccentric connectivity index
ECC	eccentricity
AECC	average eccentricity
DECC	eccentric
MDDD	mean distance degree deviation
UNIP	unipolarity
CENT	centralization
VAR	variation
BAC	Balaban centric index
Lop	Lopping centric index
ICR	radial centric information index
D/Dr03	distance/detour ring index of order 3
D/Dr04	distance/detour ring index of order 4
D/Dr05	distance/detour ring index of order 5
D/Dr06	distance/detour ring index of order 6
D/Dr07	distance/detour ring index of order 7
D/Dr08	distance/detour ring index of order 8
D/Dr09	distance/detour ring index of order 9
D/Dr10	distance/detour ring index of order 10
D/Dr11	distance/detour ring index of order 11
D/Dr12	distance/detour ring index of order 12
T(N..N)	sum of topological distances between N..N
T(N..O)	sum of topological distances between N..O
T(N..S)	sum of topological distances between N..S
T(N..P)	sum of topological distances between N..P
T(N..F)	sum of topological distances between N..F
T(N..Cl)	sum of topological distances between N..Cl
T(N..Br)	sum of topological distances between N..Br
T(N..I)	sum of topological distances between N..I
T(O..O)	sum of topological distances between O..O
T(O..S)	sum of topological distances between O..S
T(O..P)	sum of topological distances between O..P
T(O..F)	sum of topological distances between O..F
T(O..Cl)	sum of topological distances between O..Cl
T(O..Br)	sum of topological distances between O..Br
T(O..I)	sum of topological distances between O..I
T(S..S)	sum of topological distances between S..S
T(S..P)	sum of topological distances between S..P
T(S..F)	sum of topological distances between S..F
T(S..Cl)	sum of topological distances between S..Cl
T(S..Br)	sum of topological distances between S..Br
T(S..I)	sum of topological distances between S..I
T(P..P)	sum of topological distances between P..P
T(P..F)	sum of topological distances between P..F
T(P..Cl)	sum of topological distances between P..Cl
T(P..Br)	sum of topological distances between P..Br
T(P..I)	sum of topological distances between P..I
T(F..F)	sum of topological distances between F..F
T(F..Cl)	sum of topological distances between F..Cl
T(F..Br)	sum of topological distances between F..Br
T(F..I)	sum of topological distances between F..I
T(Cl..Cl)	sum of topological distances between Cl..Cl
T(Cl..Br)	sum of topological distances between Cl..Br
T(Cl..I)	sum of topological distances between Cl..I
T(Br..Br)	sum of topological distances between Br..Br
T(Br..I)	sum of topological distances between Br..I
T(I..I)	sum of topological distances between I..I
MWC01	molecular walk count of order 01 (number of non-H bonds, nBO)
MWC02	molecular walk count of order 02
MWC03	molecular walk count of order 03
MWC04	molecular walk count of order 04
MWC05	molecular walk count of order 05
MWC06	molecular walk count of order 06
MWC07	molecular walk count of order 07
MWC08	molecular walk count of order 08
MWC09	molecular walk count of order 09
MWC10	molecular walk count of order 10
TWC	total walk count
SRW01	self-returning walk count of order 01 (number of non-H atoms, nSK)
SRW02	self-returning walk count of order 02 (twice the number of non-H bonds)
SRW03	self-returning walk count of order 03
SRW04	self-returning walk count of order 04
SRW05	self-returning walk count of order 05
SRW06	self-returning walk count of order 06
SRW07	self-returning walk count of order 07
SRW08	self-returning walk count of order 08
SRW09	self-returning walk count of order 09
SRW10	self-returning walk count of order 10
MPC01	molecular path count of order 01 (number of non-H bonds, nBO)
MPC02	molecular path count of order 02 (Gordon-Scantlebury index)
MPC03	molecular path count of order 03
MPC04	molecular path count of order 04
MPC05	molecular path count of order 05
MPC06	molecular path count of order 06
MPC07	molecular path count of order 07
MPC08	molecular path count of order 08
MPC09	molecular path count of order 09
MPC10	molecular path count of order 10
piPC01	molecular multiple path count of order 01 (sum of conventional bond orders, SCBO)
piPC02	molecular multiple path count of order 02
piPC03	molecular multiple path count of order 03
piPC04	molecular multiple path count of order 04
piPC05	molecular multiple path count of order 05
piPC06	molecular multiple path count of order 06
piPC07	molecular multiple path count of order 07
piPC08	molecular multiple path count of order 08
piPC09	molecular multiple path count of order 09
piPC10	molecular multiple path count of order 10
TPC	total path count
piID	conventional bond-order ID number
PCR	ratio of multiple path count over path count
PCD	difference between multiple path count and path count
CID	Randic ID number
BID	Balaban ID number
ISIZ	information index on molecular size
IAC	total information index of atomic composition
AAC	mean information index on atomic composition
IDE	mean information content on the distance equality
IDM	mean information content on the distance magnitude
IDDE	mean information content on the distance degree equality
IDDM	mean information content on the distance degree magnitude
IDET	total information content on the distance equality
IDMT	total information content on the distance magnitude
IVDE	mean information content on the vertex degree equality
IVDM	mean information content on the vertex degree magnitude
HVcpx	graph vertex complexity index
HDcpx	graph distance complexity index (log)
Uindex	Balaban U index
Vindex	Balaban V index
Xindex	Balaban X index
Yindex	Balaban Y index
IC0	information content index (neighborhood symmetry of 0-order)
TIC0	total information content index (neighborhood symmetry of 0-order)
SIC0	structural information content (neighborhood symmetry of 0-order)
CIC0	complementary information content (neighborhood symmetry of 0-order)
BIC0	bond information content (neighborhood symmetry of 0-order)
IC1	information content index (neighborhood symmetry of 1-order)
TIC1	total information content index (neighborhood symmetry of 1-order)
SIC1	structural information content (neighborhood symmetry of 1-order)
CIC1	complementary information content (neighborhood symmetry of 1-order)
BIC1	bond information content (neighborhood symmetry of 1-order)
IC2	information content index (neighborhood symmetry of 2-order)
TIC2	total information content index (neighborhood symmetry of 2-order)
SIC2	structural information content (neighborhood symmetry of 2-order)
CIC2	complementary information content (neighborhood symmetry of 2-order)
BIC2	bond information content (neighborhood symmetry of 2-order)
IC3	information content index (neighborhood symmetry of 3-order)
TIC3	total information content index (neighborhood symmetry of 3-order)
SIC3	structural information content (neighborhood symmetry of 3-order)
CIC3	complementary information content (neighborhood symmetry of 3-order)
BIC3	bond information content (neighborhood symmetry of 3-order)
IC4	information content index (neighborhood symmetry of 4-order)
TIC4	total information content index (neighborhood symmetry of 4-order)
SIC4	structural information content (neighborhood symmetry of 4-order)
CIC4	complementary information content (neighborhood symmetry of 4-order)
BIC4	bond information content (neighborhood symmetry of 4-order)
IC5	information content index (neighborhood symmetry of 5-order)
TIC5	total information content index (neighborhood symmetry of 5-order)
SIC5	structural information content (neighborhood symmetry of 5-order)
CIC5	complementary information content (neighborhood symmetry of 5-order)
BIC5	bond information content (neighborhood symmetry of 5-order)
ATS1m	Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic masses
ATS2m	Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic masses
ATS3m	Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic masses
ATS4m	Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic masses
ATS5m	Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic masses
ATS6m	Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic masses
ATS7m	Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic masses
ATS8m	Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic masses
ATS1v	Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic van der Waals volumes
ATS2v	Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic van der Waals volumes
ATS3v	Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic van der Waals volumes
ATS4v	Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic van der Waals volumes
ATS5v	Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic van der Waals volumes
ATS6v	Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic van der Waals volumes
ATS7v	Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic van der Waals volumes
ATS8v	Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic van der Waals volumes
ATS1e	Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic Sanderson electronegativities
ATS2e	Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic Sanderson electronegativities
ATS3e	Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic Sanderson electronegativities
ATS4e	Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic Sanderson electronegativities
ATS5e	Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic Sanderson electronegativities
ATS6e	Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic Sanderson electronegativities
ATS7e	Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic Sanderson electronegativities
ATS8e	Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic Sanderson electronegativities
ATS1p	Broto-Moreau autocorrelation of a topological structure - lag 1 / weighted by atomic polarizabilities
ATS2p	Broto-Moreau autocorrelation of a topological structure - lag 2 / weighted by atomic polarizabilities
ATS3p	Broto-Moreau autocorrelation of a topological structure - lag 3 / weighted by atomic polarizabilities
ATS4p	Broto-Moreau autocorrelation of a topological structure - lag 4 / weighted by atomic polarizabilities
ATS5p	Broto-Moreau autocorrelation of a topological structure - lag 5 / weighted by atomic polarizabilities
ATS6p	Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic polarizabilities
ATS7p	Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic polarizabilities
ATS8p	Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic polarizabilities
MATS1m	Moran autocorrelation - lag 1 / weighted by atomic masses
MATS2m	Moran autocorrelation - lag 2 / weighted by atomic masses
MATS3m	Moran autocorrelation - lag 3 / weighted by atomic masses
MATS4m	Moran autocorrelation - lag 4 / weighted by atomic masses
MATS5m	Moran autocorrelation - lag 5 / weighted by atomic masses
MATS6m	Moran autocorrelation - lag 6 / weighted by atomic masses
MATS7m	Moran autocorrelation - lag 7 / weighted by atomic masses
MATS8m	Moran autocorrelation - lag 8 / weighted by atomic masses
MATS1v	Moran autocorrelation - lag 1 / weighted by atomic van der Waals volumes
MATS2v	Moran autocorrelation - lag 2 / weighted by atomic van der Waals volumes
MATS3v	Moran autocorrelation - lag 3 / weighted by atomic van der Waals volumes
MATS4v	Moran autocorrelation - lag 4 / weighted by atomic van der Waals volumes
MATS5v	Moran autocorrelation - lag 5 / weighted by atomic van der Waals volumes
MATS6v	Moran autocorrelation - lag 6 / weighted by atomic van der Waals volumes
MATS7v	Moran autocorrelation - lag 7 / weighted by atomic van der Waals volumes
MATS8v	Moran autocorrelation - lag 8 / weighted by atomic van der Waals volumes
MATS1e	Moran autocorrelation - lag 1 / weighted by atomic Sanderson electronegativities
MATS2e	Moran autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities
MATS3e	Moran autocorrelation - lag 3 / weighted by atomic Sanderson electronegativities
MATS4e	Moran autocorrelation - lag 4 / weighted by atomic Sanderson electronegativities
MATS5e	Moran autocorrelation - lag 5 / weighted by atomic Sanderson electronegativities
MATS6e	Moran autocorrelation - lag 6 / weighted by atomic Sanderson electronegativities
MATS7e	Moran autocorrelation - lag 7 / weighted by atomic Sanderson electronegativities
MATS8e	Moran autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities
MATS1p	Moran autocorrelation - lag 1 / weighted by atomic polarizabilities
MATS2p	Moran autocorrelation - lag 2 / weighted by atomic polarizabilities
MATS3p	Moran autocorrelation - lag 3 / weighted by atomic polarizabilities
MATS4p	Moran autocorrelation - lag 4 / weighted by atomic polarizabilities
MATS5p	Moran autocorrelation - lag 5 / weighted by atomic polarizabilities
MATS6p	Moran autocorrelation - lag 6 / weighted by atomic polarizabilities
MATS7p	Moran autocorrelation - lag 7 / weighted by atomic polarizabilities
MATS8p	Moran autocorrelation - lag 8 / weighted by atomic polarizabilities
GATS1m	Geary autocorrelation - lag 1 / weighted by atomic masses
GATS2m	Geary autocorrelation - lag 2 / weighted by atomic masses
GATS3m	Geary autocorrelation - lag 3 / weighted by atomic masses
GATS4m	Geary autocorrelation - lag 4 / weighted by atomic masses
GATS5m	Geary autocorrelation - lag 5 / weighted by atomic masses
GATS6m	Geary autocorrelation - lag 6 / weighted by atomic masses
GATS7m	Geary autocorrelation - lag 7 / weighted by atomic masses
GATS8m	Geary autocorrelation - lag 8 / weighted by atomic masses
GATS1v	Geary autocorrelation - lag 1 / weighted by atomic van der Waals volumes
GATS2v	Geary autocorrelation - lag 2 / weighted by atomic van der Waals volumes
GATS3v	Geary autocorrelation - lag 3 / weighted by atomic van der Waals volumes
GATS4v	Geary autocorrelation - lag 4 / weighted by atomic van der Waals volumes
GATS5v	Geary autocorrelation - lag 5 / weighted by atomic van der Waals volumes
GATS6v	Geary autocorrelation - lag 6 / weighted by atomic van der Waals volumes
GATS7v	Geary autocorrelation - lag 7 / weighted by atomic van der Waals volumes
GATS8v	Geary autocorrelation - lag 8 / weighted by atomic van der Waals volumes
GATS1e	Geary autocorrelation - lag 1 / weighted by atomic Sanderson electronegativities
GATS2e	Geary autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities
GATS3e	Geary autocorrelation - lag 3 / weighted by atomic Sanderson electronegativities
GATS4e	Geary autocorrelation - lag 4 / weighted by atomic Sanderson electronegativities
GATS5e	Geary autocorrelation - lag 5 / weighted by atomic Sanderson electronegativities
GATS6e	Geary autocorrelation - lag 6 / weighted by atomic Sanderson electronegativities
GATS7e	Geary autocorrelation - lag 7 / weighted by atomic Sanderson electronegativities
GATS8e	Geary autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities
GATS1p	Geary autocorrelation - lag 1 / weighted by atomic polarizabilities
GATS2p	Geary autocorrelation - lag 2 / weighted by atomic polarizabilities
GATS3p	Geary autocorrelation - lag 3 / weighted by atomic polarizabilities
GATS4p	Geary autocorrelation - lag 4 / weighted by atomic polarizabilities
GATS5p	Geary autocorrelation - lag 5 / weighted by atomic polarizabilities
GATS6p	Geary autocorrelation - lag 6 / weighted by atomic polarizabilities
GATS7p	Geary autocorrelation - lag 7 / weighted by atomic polarizabilities
GATS8p	Geary autocorrelation - lag 8 / weighted by atomic polarizabilities
EPS0	edge connectivity index of order 0
EPS1	edge connectivity index of order 1
EEig01x	Eigenvalue 01from edge adj. matrix weighted by edge degrees
EEig02x	Eigenvalue 02from edge adj. matrix weighted by edge degrees
EEig03x	Eigenvalue 03from edge adj. matrix weighted by edge degrees
EEig04x	Eigenvalue 04from edge adj. matrix weighted by edge degrees
EEig05x	Eigenvalue 05from edge adj. matrix weighted by edge degrees
EEig06x	Eigenvalue 06from edge adj. matrix weighted by edge degrees
EEig07x	Eigenvalue 07from edge adj. matrix weighted by edge degrees
EEig08x	Eigenvalue 08from edge adj. matrix weighted by edge degrees
EEig09x	Eigenvalue 09from edge adj. matrix weighted by edge degrees
EEig10x	Eigenvalue 10from edge adj. matrix weighted by edge degrees
EEig11x	Eigenvalue 11from edge adj. matrix weighted by edge degrees
EEig12x	Eigenvalue 12from edge adj. matrix weighted by edge degrees
EEig13x	Eigenvalue 13from edge adj. matrix weighted by edge degrees
EEig14x	Eigenvalue 14from edge adj. matrix weighted by edge degrees
EEig15x	Eigenvalue 15from edge adj. matrix weighted by edge degrees
EEig01d	Eigenvalue 01 from edge adj. matrix weighted by dipole moments
EEig02d	Eigenvalue 02 from edge adj. matrix weighted by dipole moments
EEig03d	Eigenvalue 03 from edge adj. matrix weighted by dipole moments
EEig04d	Eigenvalue 04 from edge adj. matrix weighted by dipole moments
EEig05d	Eigenvalue 05 from edge adj. matrix weighted by dipole moments
EEig06d	Eigenvalue 06 from edge adj. matrix weighted by dipole moments
EEig07d	Eigenvalue 07 from edge adj. matrix weighted by dipole moments
EEig08d	Eigenvalue 08 from edge adj. matrix weighted by dipole moments
EEig09d	Eigenvalue 09 from edge adj. matrix weighted by dipole moments
EEig10d	Eigenvalue 10 from edge adj. matrix weighted by dipole moments
EEig11d	Eigenvalue 11 from edge adj. matrix weighted by dipole moments
EEig12d	Eigenvalue 12 from edge adj. matrix weighted by dipole moments
EEig13d	Eigenvalue 13 from edge adj. matrix weighted by dipole moments
EEig14d	Eigenvalue 14 from edge adj. matrix weighted by dipole moments
EEig15d	Eigenvalue 15 from edge adj. matrix weighted by dipole moments
EEig01r	Eigenvalue 01 from edge adj. matrix weighted by resonance integrals
EEig02r	Eigenvalue 02 from edge adj. matrix weighted by resonance integrals
EEig03r	Eigenvalue 03 from edge adj. matrix weighted by resonance integrals
EEig04r	Eigenvalue 04 from edge adj. matrix weighted by resonance integrals
EEig05r	Eigenvalue 05 from edge adj. matrix weighted by resonance integrals
EEig06r	Eigenvalue 06 from edge adj. matrix weighted by resonance integrals
EEig07r	Eigenvalue 07 from edge adj. matrix weighted by resonance integrals
EEig08r	Eigenvalue 08 from edge adj. matrix weighted by resonance integrals
EEig09r	Eigenvalue 09 from edge adj. matrix weighted by resonance integrals
EEig10r	Eigenvalue 10 from edge adj. matrix weighted by resonance integrals
EEig11r	Eigenvalue 11 from edge adj. matrix weighted by resonance integrals
EEig12r	Eigenvalue 12 from edge adj. matrix weighted by resonance integrals
EEig13r	Eigenvalue 13 from edge adj. matrix weighted by resonance integrals
EEig14r	Eigenvalue 14 from edge adj. matrix weighted by resonance integrals
EEig15r	Eigenvalue 15 from edge adj. matrix weighted by resonance integrals
ESpm01u	Spectral moment 01 from edge adj. matrix
ESpm02u	Spectral moment 02 from edge adj. matrix
ESpm03u	Spectral moment 03 from edge adj. matrix
ESpm04u	Spectral moment 04 from edge adj. matrix
ESpm05u	Spectral moment 05 from edge adj. matrix
ESpm06u	Spectral moment 06 from edge adj. matrix
ESpm07u	Spectral moment 07 from edge adj. matrix
ESpm08u	Spectral moment 08 from edge adj. matrix
ESpm09u	Spectral moment 09 from edge adj. matrix
ESpm10u	Spectral moment 10 from edge adj. matrix
ESpm11u	Spectral moment 11 from edge adj. matrix
ESpm12u	Spectral moment 12 from edge adj. matrix
ESpm13u	Spectral moment 13 from edge adj. matrix
ESpm14u	Spectral moment 14 from edge adj. matrix
ESpm15u	Spectral moment 15 from edge adj. matrix
ESpm01x	Spectral moment 01 from edge adj. matrix weighted by edge degrees
ESpm02x	Spectral moment 02 from edge adj. matrix weighted by edge degrees
ESpm03x	Spectral moment 03 from edge adj. matrix weighted by edge degrees
ESpm04x	Spectral moment 04 from edge adj. matrix weighted by edge degrees
ESpm05x	Spectral moment 05 from edge adj. matrix weighted by edge degrees
ESpm06x	Spectral moment 06 from edge adj. matrix weighted by edge degrees
ESpm07x	Spectral moment 07 from edge adj. matrix weighted by edge degrees
ESpm08x	Spectral moment 08 from edge adj. matrix weighted by edge degrees
ESpm09x	Spectral moment 09 from edge adj. matrix weighted by edge degrees
ESpm10x	Spectral moment 10 from edge adj. matrix weighted by edge degrees
ESpm11x	Spectral moment 11 from edge adj. matrix weighted by edge degrees
ESpm12x	Spectral moment 12 from edge adj. matrix weighted by edge degrees
ESpm13x	Spectral moment 13 from edge adj. matrix weighted by edge degrees
ESpm14x	Spectral moment 14 from edge adj. matrix weighted by edge degrees
ESpm15x	Spectral moment 15 from edge adj. matrix weighted by edge degrees
ESpm01d	Spectral moment 01 from edge adj. matrix weighted by dipole moments
ESpm02d	Spectral moment 02 from edge adj. matrix weighted by dipole moments
ESpm03d	Spectral moment 03 from edge adj. matrix weighted by dipole moments
ESpm04d	Spectral moment 04 from edge adj. matrix weighted by dipole moments
ESpm05d	Spectral moment 05 from edge adj. matrix weighted by dipole moments
ESpm06d	Spectral moment 06 from edge adj. matrix weighted by dipole moments
ESpm07d	Spectral moment 07 from edge adj. matrix weighted by dipole moments
ESpm08d	Spectral moment 08 from edge adj. matrix weighted by dipole moments
ESpm09d	Spectral moment 09 from edge adj. matrix weighted by dipole moments
ESpm10d	Spectral moment 10 from edge adj. matrix weighted by dipole moments
ESpm11d	Spectral moment 11 from edge adj. matrix weighted by dipole moments
ESpm12d	Spectral moment 12 from edge adj. matrix weighted by dipole moments
ESpm13d	Spectral moment 13 from edge adj. matrix weighted by dipole moments
ESpm14d	Spectral moment 14 from edge adj. matrix weighted by dipole moments
ESpm15d	Spectral moment 15 from edge adj. matrix weighted by dipole moments
ESpm01r	Spectral moment 01 from edge adj. matrix weighted by resonance integrals
ESpm02r	Spectral moment 02 from edge adj. matrix weighted by resonance integrals
ESpm03r	Spectral moment 03 from edge adj. matrix weighted by resonance integrals
ESpm04r	Spectral moment 04 from edge adj. matrix weighted by resonance integrals
ESpm05r	Spectral moment 05 from edge adj. matrix weighted by resonance integrals
ESpm06r	Spectral moment 06 from edge adj. matrix weighted by resonance integrals
ESpm07r	Spectral moment 07 from edge adj. matrix weighted by resonance integrals
ESpm08r	Spectral moment 08 from edge adj. matrix weighted by resonance integrals
ESpm09r	Spectral moment 09 from edge adj. matrix weighted by resonance integrals
ESpm10r	Spectral moment 10 from edge adj. matrix weighted by resonance integrals
ESpm11r	Spectral moment 11 from edge adj. matrix weighted by resonance integrals
ESpm12r	Spectral moment 12 from edge adj. matrix weighted by resonance integrals
ESpm13r	Spectral moment 13 from edge adj. matrix weighted by resonance integrals
ESpm14r	Spectral moment 14 from edge adj. matrix weighted by resonance integrals
ESpm15r	Spectral moment 15 from edge adj. matrix weighted by resonance integrals
BEHm1	highest eigenvalue n. 1 of Burden matrix / weighted by atomic masses
BEHm2	highest eigenvalue n. 2 of Burden matrix / weighted by atomic masses
BEHm3	highest eigenvalue n. 3 of Burden matrix / weighted by atomic masses
BEHm4	highest eigenvalue n. 4 of Burden matrix / weighted by atomic masses
BEHm5	highest eigenvalue n. 5 of Burden matrix / weighted by atomic masses
BEHm6	highest eigenvalue n. 6 of Burden matrix / weighted by atomic masses
BEHm7	highest eigenvalue n. 7 of Burden matrix / weighted by atomic masses
BEHm8	highest eigenvalue n. 8 of Burden matrix / weighted by atomic masses
BELm1	lowest eigenvalue n. 1 of Burden matrix / weighted by atomic masses
BELm2	lowest eigenvalue n. 2 of Burden matrix / weighted by atomic masses
BELm3	lowest eigenvalue n. 3 of Burden matrix / weighted by atomic masses
BELm4	lowest eigenvalue n. 4 of Burden matrix / weighted by atomic masses
BELm5	lowest eigenvalue n. 5 of Burden matrix / weighted by atomic masses
BELm6	lowest eigenvalue n. 6 of Burden matrix / weighted by atomic masses
BELm7	lowest eigenvalue n. 7 of Burden matrix / weighted by atomic masses
BELm8	lowest eigenvalue n. 8 of Burden matrix / weighted by atomic masses
BEHv1	highest eigenvalue n. 1 of Burden matrix / weighted by atomic van der Waals volumes
BEHv2	highest eigenvalue n. 2 of Burden matrix / weighted by atomic van der Waals volumes
BEHv3	highest eigenvalue n. 3 of Burden matrix / weighted by atomic van der Waals volumes
BEHv4	highest eigenvalue n. 4 of Burden matrix / weighted by atomic van der Waals volumes
BEHv5	highest eigenvalue n. 5 of Burden matrix / weighted by atomic van der Waals volumes
BEHv6	highest eigenvalue n. 6 of Burden matrix / weighted by atomic van der Waals volumes
BEHv7	highest eigenvalue n. 7 of Burden matrix / weighted by atomic van der Waals volumes
BEHv8	highest eigenvalue n. 8 of Burden matrix / weighted by atomic van der Waals volumes
BELv1	lowest eigenvalue n. 1 of Burden matrix / weighted by atomic van der Waals volumes
BELv2	lowest eigenvalue n. 2 of Burden matrix / weighted by atomic van der Waals volumes
BELv3	lowest eigenvalue n. 3 of Burden matrix / weighted by atomic van der Waals volumes
BELv4	lowest eigenvalue n. 4 of Burden matrix / weighted by atomic van der Waals volumes
BELv5	lowest eigenvalue n. 5 of Burden matrix / weighted by atomic van der Waals volumes
BELv6	lowest eigenvalue n. 6 of Burden matrix / weighted by atomic van der Waals volumes
BELv7	lowest eigenvalue n. 7 of Burden matrix / weighted by atomic van der Waals volumes
BELv8	lowest eigenvalue n. 8 of Burden matrix / weighted by atomic van der Waals volumes
BEHe1	highest eigenvalue n. 1 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe2	highest eigenvalue n. 2 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe3	highest eigenvalue n. 3 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe4	highest eigenvalue n. 4 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe5	highest eigenvalue n. 5 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe6	highest eigenvalue n. 6 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe7	highest eigenvalue n. 7 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHe8	highest eigenvalue n. 8 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe1	lowest eigenvalue n. 1 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe2	lowest eigenvalue n. 2 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe3	lowest eigenvalue n. 3 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe4	lowest eigenvalue n. 4 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe5	lowest eigenvalue n. 5 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe6	lowest eigenvalue n. 6 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe7	lowest eigenvalue n. 7 of Burden matrix / weighted by atomic Sanderson electronegativities
BELe8	lowest eigenvalue n. 8 of Burden matrix / weighted by atomic Sanderson electronegativities
BEHp1	highest eigenvalue n. 1 of Burden matrix / weighted by atomic polarizabilities
BEHp2	highest eigenvalue n. 2 of Burden matrix / weighted by atomic polarizabilities
BEHp3	highest eigenvalue n. 3 of Burden matrix / weighted by atomic polarizabilities
BEHp4	highest eigenvalue n. 4 of Burden matrix / weighted by atomic polarizabilities
BEHp5	highest eigenvalue n. 5 of Burden matrix / weighted by atomic polarizabilities
BEHp6	highest eigenvalue n. 6 of Burden matrix / weighted by atomic polarizabilities
BEHp7	highest eigenvalue n. 7 of Burden matrix / weighted by atomic polarizabilities
BEHp8	highest eigenvalue n. 8 of Burden matrix / weighted by atomic polarizabilities
BELp1	lowest eigenvalue n. 1 of Burden matrix / weighted by atomic polarizabilities
BELp2	lowest eigenvalue n. 2 of Burden matrix / weighted by atomic polarizabilities
BELp3	lowest eigenvalue n. 3 of Burden matrix / weighted by atomic polarizabilities
BELp4	lowest eigenvalue n. 4 of Burden matrix / weighted by atomic polarizabilities
BELp5	lowest eigenvalue n. 5 of Burden matrix / weighted by atomic polarizabilities
BELp6	lowest eigenvalue n. 6 of Burden matrix / weighted by atomic polarizabilities
BELp7	lowest eigenvalue n. 7 of Burden matrix / weighted by atomic polarizabilities
BELp8	lowest eigenvalue n. 8 of Burden matrix / weighted by atomic polarizabilities
GGI1	topological charge index of order 1
GGI2	topological charge index of order 2
GGI3	topological charge index of order 3
GGI4	topological charge index of order 4
GGI5	topological charge index of order 5
GGI6	topological charge index of order 6
GGI7	topological charge index of order 7
GGI8	topological charge index of order 8
GGI9	topological charge index of order 9
GGI10	topological charge index of order 10
JGI1	mean topological charge index of order1
JGI2	mean topological charge index of order2
JGI3	mean topological charge index of order3
JGI4	mean topological charge index of order4
JGI5	mean topological charge index of order5
JGI6	mean topological charge index of order6
JGI7	mean topological charge index of order7
JGI8	mean topological charge index of order8
JGI9	mean topological charge index of order9
JGI10	mean topological charge index of order10
JGT	global topological charge index
LP1	Lovasz-Pelikan index (leading eigenvalue)
Eig1Z	Leading eigenvalue from Z weighted distance matrix (Barysz matrix)
Eig1m	Leading eigenvalue from mass weighted distance matrix
Eig1v	Leading eigenvalue from van der Waals weighted distance matrix
Eig1e	Leading eigenvalue from electronegativity weighted distance matrix
Eig1p	Leading eigenvalue from polarizability weighted distance matrix
SEigZ	Eigenvalue sum from Z weighted distance matrix (Barysz matrix)
SEigm	Eigenvalue sum from mass weighted distance matrix
SEigv	Eigenvalue sum from van der Waals weighted distance matrix
SEige	Eigenvalue sum from electronegativity weighted distance matrix
SEigp	Eigenvalue sum from polarizability weighted distance matrix
AEigZ	Absolute eigenvalue sum from Z weighted distance matrix (Barysz matrix)
AEigm	Absolute eigenvalue sum from mass weighted distance matrix
AEigv	Absolute eigenvalue sum from van der Waals weighted distance matrix
AEige	Absolute eigenvalue sum from electronegativity weighted distance matrix
AEigp	Absolute eigenvalue sum from polarizability weighted distance matrix
VEA1	eigenvector coefficient sum from adjacency matrix
VEA2	average eigenvector coefficient sum from adjacency matrix
VRA1	Randic-type eigenvector-based index from adjacency matrix
VRA2	average Randic-type eigenvector-based index from adjacency matrix
VED1	eigenvector coefficient sum from distance matrix
VED2	average eigenvector coefficient sum from distance matrix
VRD1	Randic-type eigenvector-based index from distance matrix
VRD2	average Randic-type eigenvector-based index from distance matrix
VEZ1	eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix)
VEZ2	average eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix)
VRZ1	Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix)
VRZ2	average Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix)
VEm1	eigenvector coefficient sum from mass weighted distance matrix
VEm2	average eigenvector coefficient sum from mass weighted distance matrix
VRm1	Randic-type eigenvector-based index from mass weighted distance matrix
VRm2	average Randic-type eigenvector-based index from mass weighted distance matrix
VEv1	eigenvector coefficient sum from van der Waals weighted distance matrix
VEv2	average eigenvector coefficient sum from van der Waals weighted distance matrix
VRv1	Randic-type eigenvector-based index from van der Waals weighted distance matrix
VRv2	average Randic-type eigenvector-based index from van der Waals weighted distance matrix
VEe1	eigenvector coefficient sum from electronegativity weighted distance matrix
VEe2	average eigenvector coefficient sum from electronegativity weighted distance matrix
VRe1	Randic-type eigenvector-based index from electronegativity weighted distance matrix
VRe2	average Randic-type eigenvector-based index from electronegativity weighted distance matrix
VEp1	eigenvector coefficient sum from polarizability weighted distance matrix
VEp2	average eigenvector coefficient sum from polarizability weighted distance matrix
VRp1	Randic-type eigenvector-based index from polarizability weighted distance matrix
VRp2	average Randic-type eigenvector-based index from polarizability weighted distance matrix
DP01	molecular profile no. 01
DP02	molecular profile no. 02
DP03	molecular profile no. 03
DP04	molecular profile no. 04
DP05	molecular profile no. 05
DP06	molecular profile no. 06
DP07	molecular profile no. 07
DP08	molecular profile no. 08
DP09	molecular profile no. 09
DP10	molecular profile no. 10
DP11	molecular profile no. 11
DP12	molecular profile no. 12
DP13	molecular profile no. 13
DP14	molecular profile no. 14
DP15	molecular profile no. 15
DP16	molecular profile no. 16
DP17	molecular profile no. 17
DP18	molecular profile no. 18
DP19	molecular profile no. 19
DP20	molecular profile no. 20
SP01	shape profile no. 01
SP02	shape profile no. 02
SP03	shape profile no. 03
SP04	shape profile no. 04
SP05	shape profile no. 05
SP06	shape profile no. 06
SP07	shape profile no. 07
SP08	shape profile no. 08
SP09	shape profile no. 09
SP10	shape profile no. 10
SP11	shape profile no. 11
SP12	shape profile no. 12
SP13	shape profile no. 13
SP14	shape profile no. 14
SP15	shape profile no. 15
SP16	shape profile no. 16
SP17	shape profile no. 17
SP18	shape profile no. 18
SP19	shape profile no. 19
SP20	shape profile no. 20
SHP2	average shape profile index of order 2
W3D	3D-Wiener index
J3D	3D-Balaban index
H3D	3D-Harary index
AGDD	average geometric distance degree
DDI	D/D index
ADDD	average distance/distance degree
G1	gravitational index G1
G2	gravitational index G2 (bond-restricted)
RGyr	radius of gyration (mass weighted)
SPAN	span R
SPAM	average span R
MEcc	molecular eccentricity
SPH	spherosity
ASP	asphericity
FDI	folding degree index
PJI3	3D Petijean shape index
L/Bw	length-to-breadth ratio by WHIM
SEig	absolute eigenvalue sum on geometry matrix
HOMA	Harmonic Oscillator Model of Aromaticity index
RCI	Jug RC index
AROM	aromaticity (trial)
HOMT	HOMA total (trial)
DISPm	d COMMA2 value / weighted by atomic masses
QXXm	Qxx COMMA2 value / weighted by atomic masses
QYYm	Qyy COMMA2 value / weighted by atomic masses
QZZm	Qzz COMMA2 value / weighted by atomic masses
DISPv	d COMMA2 value / weighted by atomic van der Waals volumes
QXXv	Qxx COMMA2 value / weighted by atomic van der Waals volumes
QYYv	Qyy COMMA2 value / weighted by atomic van der Waals volumes
QZZv	Qzz COMMA2 value / weighted by atomic van der Waals volumes
DISPe	d COMMA2 value / weighted by atomic Sanderson electronegativities
QXXe	Qxx COMMA2 value / weighted by atomic Sanderson electronegativities
QYYe	Qyy COMMA2 value / weighted by atomic Sanderson electronegativities
QZZe	Qzz COMMA2 value / weighted by atomic Sanderson electronegativities
DISPp	d COMMA2 value / weighted by atomic polarizabilities
QXXp	Qxx COMMA2 value / weighted by atomic polarizabilities
QYYp	Qyy COMMA2 value / weighted by atomic polarizabilities
QZZp	Qzz COMMA2 value / weighted by atomic polarizabilities
G(N..N)	sum of geometrical distances between N..N
G(N..O)	sum of geometrical distances between N..O
G(N..S)	sum of geometrical distances between N..S
G(N..P)	sum of geometrical distances between N..P
G(N..F)	sum of geometrical distances between N..F
G(N..Cl)	sum of geometrical distances between N..Cl
G(N..Br)	sum of geometrical distances between N..Br
G(N..I)	sum of geometrical distances between N..I
G(O..O)	sum of geometrical distances between O..O
G(O..S)	sum of geometrical distances between O..S
G(O..P)	sum of geometrical distances between O..P
G(O..F)	sum of geometrical distances between O..F
G(O..Cl)	sum of geometrical distances between O..Cl
G(O..Br)	sum of geometrical distances between O..Br
G(O..I)	sum of geometrical distances between O..I
G(S..S)	sum of geometrical distances between S..S
G(S..P)	sum of geometrical distances between S..P
G(S..F)	sum of geometrical distances between S..F
G(S..Cl)	sum of geometrical distances between S..Cl
G(S..Br)	sum of geometrical distances between S..Br
G(S..I)	sum of geometrical distances between S..I
G(P..P)	sum of geometrical distances between P..P
G(P..F)	sum of geometrical distances between P..F
G(P..Cl)	sum of geometrical distances between P..Cl
G(P..Br)	sum of geometrical distances between P..Br
G(P..I)	sum of geometrical distances between P..I
G(F..F)	sum of geometrical distances between F..F
G(F..Cl)	sum of geometrical distances between F..Cl
G(F..Br)	sum of geometrical distances between F..Br
G(F..I)	sum of geometrical distances between F..I
G(Cl..Cl)	sum of geometrical distances between Cl..Cl
G(Cl..Br)	sum of geometrical distances between Cl..Br
G(Cl..I)	sum of geometrical distances between Cl..I
G(Br..Br)	sum of geometrical distances between Br..Br
G(Br..I)	sum of geometrical distances between Br..I
G(I..I)	sum of geometrical distances between I..I
RDF010u	Radial Distribution Function - 1.0 / unweighted
RDF015u	Radial Distribution Function - 1.5 / unweighted
RDF020u	Radial Distribution Function - 2.0 / unweighted
RDF025u	Radial Distribution Function - 2.5 / unweighted
RDF030u	Radial Distribution Function - 3.0 / unweighted
RDF035u	Radial Distribution Function - 3.5 / unweighted
RDF040u	Radial Distribution Function - 4.0 / unweighted
RDF045u	Radial Distribution Function - 4.5 / unweighted
RDF050u	Radial Distribution Function - 5.0 / unweighted
RDF055u	Radial Distribution Function - 5.5 / unweighted
RDF060u	Radial Distribution Function - 6.0 / unweighted
RDF065u	Radial Distribution Function - 6.5 / unweighted
RDF070u	Radial Distribution Function - 7.0 / unweighted
RDF075u	Radial Distribution Function - 7.5 / unweighted
RDF080u	Radial Distribution Function - 8.0 / unweighted
RDF085u	Radial Distribution Function - 8.5 / unweighted
RDF090u	Radial Distribution Function - 9.0 / unweighted
RDF095u	Radial Distribution Function - 9.5 / unweighted
RDF100u	Radial Distribution Function - 10.0 / unweighted
RDF105u	Radial Distribution Function - 10.5 / unweighted
RDF110u	Radial Distribution Function - 11.0 / unweighted
RDF115u	Radial Distribution Function - 11.5 / unweighted
RDF120u	Radial Distribution Function - 12.0 / unweighted
RDF125u	Radial Distribution Function - 12.5 / unweighted
RDF130u	Radial Distribution Function - 13.0 / unweighted
RDF135u	Radial Distribution Function - 13.5 / unweighted
RDF140u	Radial Distribution Function - 14.0 / unweighted
RDF145u	Radial Distribution Function - 14.5 / unweighted
RDF150u	Radial Distribution Function - 15.0 / unweighted
RDF155u	Radial Distribution Function - 15.5 / unweighted
RDF010m	Radial Distribution Function - 1.0 / weighted by atomic masses
RDF015m	Radial Distribution Function - 1.5 / weighted by atomic masses
RDF020m	Radial Distribution Function - 2.0 / weighted by atomic masses
RDF025m	Radial Distribution Function - 2.5 / weighted by atomic masses
RDF030m	Radial Distribution Function - 3.0 / weighted by atomic masses
RDF035m	Radial Distribution Function - 3.5 / weighted by atomic masses
RDF040m	Radial Distribution Function - 4.0 / weighted by atomic masses
RDF045m	Radial Distribution Function - 4.5 / weighted by atomic masses
RDF050m	Radial Distribution Function - 5.0 / weighted by atomic masses
RDF055m	Radial Distribution Function - 5.5 / weighted by atomic masses
RDF060m	Radial Distribution Function - 6.0 / weighted by atomic masses
RDF065m	Radial Distribution Function - 6.5 / weighted by atomic masses
RDF070m	Radial Distribution Function - 7.0 / weighted by atomic masses
RDF075m	Radial Distribution Function - 7.5 / weighted by atomic masses
RDF080m	Radial Distribution Function - 8.0 / weighted by atomic masses
RDF085m	Radial Distribution Function - 8.5 / weighted by atomic masses
RDF090m	Radial Distribution Function - 9.0 / weighted by atomic masses
RDF095m	Radial Distribution Function - 9.5 / weighted by atomic masses
RDF100m	Radial Distribution Function - 10.0 / weighted by atomic masses
RDF105m	Radial Distribution Function - 10.5 / weighted by atomic masses
RDF110m	Radial Distribution Function - 11.0 / weighted by atomic masses
RDF115m	Radial Distribution Function - 11.5 / weighted by atomic masses
RDF120m	Radial Distribution Function - 12.0 / weighted by atomic masses
RDF125m	Radial Distribution Function - 12.5 / weighted by atomic masses
RDF130m	Radial Distribution Function - 13.0 / weighted by atomic masses
RDF135m	Radial Distribution Function - 13.5 / weighted by atomic masses
RDF140m	Radial Distribution Function - 14.0 / weighted by atomic masses
RDF145m	Radial Distribution Function - 14.5 / weighted by atomic masses
RDF150m	Radial Distribution Function - 15.0 / weighted by atomic masses
RDF155m	Radial Distribution Function - 15.5 / weighted by atomic masses
RDF010v	Radial Distribution Function - 1.0 / weighted by atomic van der Waals volumes
RDF015v	Radial Distribution Function - 1.5 / weighted by atomic van der Waals volumes
RDF020v	Radial Distribution Function - 2.0 / weighted by atomic van der Waals volumes
RDF025v	Radial Distribution Function - 2.5 / weighted by atomic van der Waals volumes
RDF030v	Radial Distribution Function - 3.0 / weighted by atomic van der Waals volumes
RDF035v	Radial Distribution Function - 3.5 / weighted by atomic van der Waals volumes
RDF040v	Radial Distribution Function - 4.0 / weighted by atomic van der Waals volumes
RDF045v	Radial Distribution Function - 4.5 / weighted by atomic van der Waals volumes
RDF050v	Radial Distribution Function - 5.0 / weighted by atomic van der Waals volumes
RDF055v	Radial Distribution Function - 5.5 / weighted by atomic van der Waals volumes
RDF060v	Radial Distribution Function - 6.0 / weighted by atomic van der Waals volumes
RDF065v	Radial Distribution Function - 6.5 / weighted by atomic van der Waals volumes
RDF070v	Radial Distribution Function - 7.0 / weighted by atomic van der Waals volumes
RDF075v	Radial Distribution Function - 7.5 / weighted by atomic van der Waals volumes
RDF080v	Radial Distribution Function - 8.0 / weighted by atomic van der Waals volumes
RDF085v	Radial Distribution Function - 8.5 / weighted by atomic van der Waals volumes
RDF090v	Radial Distribution Function - 9.0 / weighted by atomic van der Waals volumes
RDF095v	Radial Distribution Function - 9.5 / weighted by atomic van der Waals volumes
RDF100v	Radial Distribution Function - 10.0 / weighted by atomic van der Waals volumes
RDF105v	Radial Distribution Function - 10.5 / weighted by atomic van der Waals volumes
RDF110v	Radial Distribution Function - 11.0 / weighted by atomic van der Waals volumes
RDF115v	Radial Distribution Function - 11.5 / weighted by atomic van der Waals volumes
RDF120v	Radial Distribution Function - 12.0 / weighted by atomic van der Waals volumes
RDF125v	Radial Distribution Function - 12.5 / weighted by atomic van der Waals volumes
RDF130v	Radial Distribution Function - 13.0 / weighted by atomic van der Waals volumes
RDF135v	Radial Distribution Function - 13.5 / weighted by atomic van der Waals volumes
RDF140v	Radial Distribution Function - 14.0 / weighted by atomic van der Waals volumes
RDF145v	Radial Distribution Function - 14.5 / weighted by atomic van der Waals volumes
RDF150v	Radial Distribution Function - 15.0 / weighted by atomic van der Waals volumes
RDF155v	Radial Distribution Function - 15.5 / weighted by atomic van der Waals volumes
RDF010e	Radial Distribution Function - 1.0 / weighted by atomic Sanderson electronegativities
RDF015e	Radial Distribution Function - 1.5 / weighted by atomic Sanderson electronegativities
RDF020e	Radial Distribution Function - 2.0 / weighted by atomic Sanderson electronegativities
RDF025e	Radial Distribution Function - 2.5 / weighted by atomic Sanderson electronegativities
RDF030e	Radial Distribution Function - 3.0 / weighted by atomic Sanderson electronegativities
RDF035e	Radial Distribution Function - 3.5 / weighted by atomic Sanderson electronegativities
RDF040e	Radial Distribution Function - 4.0 / weighted by atomic Sanderson electronegativities
RDF045e	Radial Distribution Function - 4.5 / weighted by atomic Sanderson electronegativities
RDF050e	Radial Distribution Function - 5.0 / weighted by atomic Sanderson electronegativities
RDF055e	Radial Distribution Function - 5.5 / weighted by atomic Sanderson electronegativities
RDF060e	Radial Distribution Function - 6.0 / weighted by atomic Sanderson electronegativities
RDF065e	Radial Distribution Function - 6.5 / weighted by atomic Sanderson electronegativities
RDF070e	Radial Distribution Function - 7.0 / weighted by atomic Sanderson electronegativities
RDF075e	Radial Distribution Function - 7.5 / weighted by atomic Sanderson electronegativities
RDF080e	Radial Distribution Function - 8.0 / weighted by atomic Sanderson electronegativities
RDF085e	Radial Distribution Function - 8.5 / weighted by atomic Sanderson electronegativities
RDF090e	Radial Distribution Function - 9.0 / weighted by atomic Sanderson electronegativities
RDF095e	Radial Distribution Function - 9.5 / weighted by atomic Sanderson electronegativities
RDF100e	Radial Distribution Function - 10.0 / weighted by atomic Sanderson electronegativities
RDF105e	Radial Distribution Function - 10.5 / weighted by atomic Sanderson electronegativities
RDF110e	Radial Distribution Function - 11.0 / weighted by atomic Sanderson electronegativities
RDF115e	Radial Distribution Function - 11.5 / weighted by atomic Sanderson electronegativities
RDF120e	Radial Distribution Function - 12.0 / weighted by atomic Sanderson electronegativities
RDF125e	Radial Distribution Function - 12.5 / weighted by atomic Sanderson electronegativities
RDF130e	Radial Distribution Function - 13.0 / weighted by atomic Sanderson electronegativities
RDF135e	Radial Distribution Function - 13.5 / weighted by atomic Sanderson electronegativities
RDF140e	Radial Distribution Function - 14.0 / weighted by atomic Sanderson electronegativities
RDF145e	Radial Distribution Function - 14.5 / weighted by atomic Sanderson electronegativities
RDF150e	Radial Distribution Function - 15.0 / weighted by atomic Sanderson electronegativities
RDF155e	Radial Distribution Function - 15.5 / weighted by atomic Sanderson electronegativities
RDF010p	Radial Distribution Function - 1.0 / weighted by atomic polarizabilities
RDF015p	Radial Distribution Function - 1.5 / weighted by atomic polarizabilities
RDF020p	Radial Distribution Function - 2.0 / weighted by atomic polarizabilities
RDF025p	Radial Distribution Function - 2.5 / weighted by atomic polarizabilities
RDF030p	Radial Distribution Function - 3.0 / weighted by atomic polarizabilities
RDF035p	Radial Distribution Function - 3.5 / weighted by atomic polarizabilities
RDF040p	Radial Distribution Function - 4.0 / weighted by atomic polarizabilities
RDF045p	Radial Distribution Function - 4.5 / weighted by atomic polarizabilities
RDF050p	Radial Distribution Function - 5.0 / weighted by atomic polarizabilities
RDF055p	Radial Distribution Function - 5.5 / weighted by atomic polarizabilities
RDF060p	Radial Distribution Function - 6.0 / weighted by atomic polarizabilities
RDF065p	Radial Distribution Function - 6.5 / weighted by atomic polarizabilities
RDF070p	Radial Distribution Function - 7.0 / weighted by atomic polarizabilities
RDF075p	Radial Distribution Function - 7.5 / weighted by atomic polarizabilities
RDF080p	Radial Distribution Function - 8.0 / weighted by atomic polarizabilities
RDF085p	Radial Distribution Function - 8.5 / weighted by atomic polarizabilities
RDF090p	Radial Distribution Function - 9.0 / weighted by atomic polarizabilities
RDF095p	Radial Distribution Function - 9.5 / weighted by atomic polarizabilities
RDF100p	Radial Distribution Function - 10.0 / weighted by atomic polarizabilities
RDF105p	Radial Distribution Function - 10.5 / weighted by atomic polarizabilities
RDF110p	Radial Distribution Function - 11.0 / weighted by atomic polarizabilities
RDF115p	Radial Distribution Function - 11.5 / weighted by atomic polarizabilities
RDF120p	Radial Distribution Function - 12.0 / weighted by atomic polarizabilities
RDF125p	Radial Distribution Function - 12.5 / weighted by atomic polarizabilities
RDF130p	Radial Distribution Function - 13.0 / weighted by atomic polarizabilities
RDF135p	Radial Distribution Function - 13.5 / weighted by atomic polarizabilities
RDF140p	Radial Distribution Function - 14.0 / weighted by atomic polarizabilities
RDF145p	Radial Distribution Function - 14.5 / weighted by atomic polarizabilities
RDF150p	Radial Distribution Function - 15.0 / weighted by atomic polarizabilities
RDF155p	Radial Distribution Function - 15.5 / weighted by atomic polarizabilities
Mor01u	3D-MoRSE - signal 01 / unweighted
Mor02u	3D-MoRSE - signal 02 / unweighted
Mor03u	3D-MoRSE - signal 03 / unweighted
Mor04u	3D-MoRSE - signal 04 / unweighted
Mor05u	3D-MoRSE - signal 05 / unweighted
Mor06u	3D-MoRSE - signal 06 / unweighted
Mor07u	3D-MoRSE - signal 07 / unweighted
Mor08u	3D-MoRSE - signal 08 / unweighted
Mor09u	3D-MoRSE - signal 09 / unweighted
Mor10u	3D-MoRSE - signal 10 / unweighted
Mor11u	3D-MoRSE - signal 11 / unweighted
Mor12u	3D-MoRSE - signal 12 / unweighted
Mor13u	3D-MoRSE - signal 13 / unweighted
Mor14u	3D-MoRSE - signal 14 / unweighted
Mor15u	3D-MoRSE - signal 15 / unweighted
Mor16u	3D-MoRSE - signal 16 / unweighted
Mor17u	3D-MoRSE - signal 17 / unweighted
Mor18u	3D-MoRSE - signal 18 / unweighted
Mor19u	3D-MoRSE - signal 19 / unweighted
Mor20u	3D-MoRSE - signal 20 / unweighted
Mor21u	3D-MoRSE - signal 21 / unweighted
Mor22u	3D-MoRSE - signal 22 / unweighted
Mor23u	3D-MoRSE - signal 23 / unweighted
Mor24u	3D-MoRSE - signal 24 / unweighted
Mor25u	3D-MoRSE - signal 25 / unweighted
Mor26u	3D-MoRSE - signal 26 / unweighted
Mor27u	3D-MoRSE - signal 27 / unweighted
Mor28u	3D-MoRSE - signal 28 / unweighted
Mor29u	3D-MoRSE - signal 29 / unweighted
Mor30u	3D-MoRSE - signal 30 / unweighted
Mor31u	3D-MoRSE - signal 31 / unweighted
Mor32u	3D-MoRSE - signal 32 / unweighted
Mor01m	3D-MoRSE - signal 01 / weighted by atomic masses
Mor02m	3D-MoRSE - signal 02 / weighted by atomic masses
Mor03m	3D-MoRSE - signal 03 / weighted by atomic masses
Mor04m	3D-MoRSE - signal 04 / weighted by atomic masses
Mor05m	3D-MoRSE - signal 05 / weighted by atomic masses
Mor06m	3D-MoRSE - signal 06 / weighted by atomic masses
Mor07m	3D-MoRSE - signal 07 / weighted by atomic masses
Mor08m	3D-MoRSE - signal 08 / weighted by atomic masses
Mor09m	3D-MoRSE - signal 09 / weighted by atomic masses
Mor10m	3D-MoRSE - signal 10 / weighted by atomic masses
Mor11m	3D-MoRSE - signal 11 / weighted by atomic masses
Mor12m	3D-MoRSE - signal 12 / weighted by atomic masses
Mor13m	3D-MoRSE - signal 13 / weighted by atomic masses
Mor14m	3D-MoRSE - signal 14 / weighted by atomic masses
Mor15m	3D-MoRSE - signal 15 / weighted by atomic masses
Mor16m	3D-MoRSE - signal 16 / weighted by atomic masses
Mor17m	3D-MoRSE - signal 17 / weighted by atomic masses
Mor18m	3D-MoRSE - signal 18 / weighted by atomic masses
Mor19m	3D-MoRSE - signal 19 / weighted by atomic masses
Mor20m	3D-MoRSE - signal 20 / weighted by atomic masses
Mor21m	3D-MoRSE - signal 21 / weighted by atomic masses
Mor22m	3D-MoRSE - signal 22 / weighted by atomic masses
Mor23m	3D-MoRSE - signal 23 / weighted by atomic masses
Mor24m	3D-MoRSE - signal 24 / weighted by atomic masses
Mor25m	3D-MoRSE - signal 25 / weighted by atomic masses
Mor26m	3D-MoRSE - signal 26 / weighted by atomic masses
Mor27m	3D-MoRSE - signal 27 / weighted by atomic masses
Mor28m	3D-MoRSE - signal 28 / weighted by atomic masses
Mor29m	3D-MoRSE - signal 29 / weighted by atomic masses
Mor30m	3D-MoRSE - signal 30 / weighted by atomic masses
Mor31m	3D-MoRSE - signal 31 / weighted by atomic masses
Mor32m	3D-MoRSE - signal 32 / weighted by atomic masses
Mor01v	3D-MoRSE - signal 01 / weighted by atomic van der Waals volumes
Mor02v	3D-MoRSE - signal 02 / weighted by atomic van der Waals volumes
Mor03v	3D-MoRSE - signal 03 / weighted by atomic van der Waals volumes
Mor04v	3D-MoRSE - signal 04 / weighted by atomic van der Waals volumes
Mor05v	3D-MoRSE - signal 05 / weighted by atomic van der Waals volumes
Mor06v	3D-MoRSE - signal 06 / weighted by atomic van der Waals volumes
Mor07v	3D-MoRSE - signal 07 / weighted by atomic van der Waals volumes
Mor08v	3D-MoRSE - signal 08 / weighted by atomic van der Waals volumes
Mor09v	3D-MoRSE - signal 09 / weighted by atomic van der Waals volumes
Mor10v	3D-MoRSE - signal 10 / weighted by atomic van der Waals volumes
Mor11v	3D-MoRSE - signal 11 / weighted by atomic van der Waals volumes
Mor12v	3D-MoRSE - signal 12 / weighted by atomic van der Waals volumes
Mor13v	3D-MoRSE - signal 13 / weighted by atomic van der Waals volumes
Mor14v	3D-MoRSE - signal 14 / weighted by atomic van der Waals volumes
Mor15v	3D-MoRSE - signal 15 / weighted by atomic van der Waals volumes
Mor16v	3D-MoRSE - signal 16 / weighted by atomic van der Waals volumes
Mor17v	3D-MoRSE - signal 17 / weighted by atomic van der Waals volumes
Mor18v	3D-MoRSE - signal 18 / weighted by atomic van der Waals volumes
Mor19v	3D-MoRSE - signal 19 / weighted by atomic van der Waals volumes
Mor20v	3D-MoRSE - signal 20 / weighted by atomic van der Waals volumes
Mor21v	3D-MoRSE - signal 21 / weighted by atomic van der Waals volumes
Mor22v	3D-MoRSE - signal 22 / weighted by atomic van der Waals volumes
Mor23v	3D-MoRSE - signal 23 / weighted by atomic van der Waals volumes
Mor24v	3D-MoRSE - signal 24 / weighted by atomic van der Waals volumes
Mor25v	3D-MoRSE - signal 25 / weighted by atomic van der Waals volumes
Mor26v	3D-MoRSE - signal 26 / weighted by atomic van der Waals volumes
Mor27v	3D-MoRSE - signal 27 / weighted by atomic van der Waals volumes
Mor28v	3D-MoRSE - signal 28 / weighted by atomic van der Waals volumes
Mor29v	3D-MoRSE - signal 29 / weighted by atomic van der Waals volumes
Mor30v	3D-MoRSE - signal 30 / weighted by atomic van der Waals volumes
Mor31v	3D-MoRSE - signal 31 / weighted by atomic van der Waals volumes
Mor32v	3D-MoRSE - signal 32 / weighted by atomic van der Waals volumes
Mor01e	3D-MoRSE - signal 01 / weighted by atomic Sanderson electronegativities
Mor02e	3D-MoRSE - signal 02 / weighted by atomic Sanderson electronegativities
Mor03e	3D-MoRSE - signal 03 / weighted by atomic Sanderson electronegativities
Mor04e	3D-MoRSE - signal 04 / weighted by atomic Sanderson electronegativities
Mor05e	3D-MoRSE - signal 05 / weighted by atomic Sanderson electronegativities
Mor06e	3D-MoRSE - signal 06 / weighted by atomic Sanderson electronegativities
Mor07e	3D-MoRSE - signal 07 / weighted by atomic Sanderson electronegativities
Mor08e	3D-MoRSE - signal 08 / weighted by atomic Sanderson electronegativities
Mor09e	3D-MoRSE - signal 09 / weighted by atomic Sanderson electronegativities
Mor10e	3D-MoRSE - signal 10 / weighted by atomic Sanderson electronegativities
Mor11e	3D-MoRSE - signal 11 / weighted by atomic Sanderson electronegativities
Mor12e	3D-MoRSE - signal 12 / weighted by atomic Sanderson electronegativities
Mor13e	3D-MoRSE - signal 13 / weighted by atomic Sanderson electronegativities
Mor14e	3D-MoRSE - signal 14 / weighted by atomic Sanderson electronegativities
Mor15e	3D-MoRSE - signal 15 / weighted by atomic Sanderson electronegativities
Mor16e	3D-MoRSE - signal 16 / weighted by atomic Sanderson electronegativities
Mor17e	3D-MoRSE - signal 17 / weighted by atomic Sanderson electronegativities
Mor18e	3D-MoRSE - signal 18 / weighted by atomic Sanderson electronegativities
Mor19e	3D-MoRSE - signal 19 / weighted by atomic Sanderson electronegativities
Mor20e	3D-MoRSE - signal 20 / weighted by atomic Sanderson electronegativities
Mor21e	3D-MoRSE - signal 21 / weighted by atomic Sanderson electronegativities
Mor22e	3D-MoRSE - signal 22 / weighted by atomic Sanderson electronegativities
Mor23e	3D-MoRSE - signal 23 / weighted by atomic Sanderson electronegativities
Mor24e	3D-MoRSE - signal 24 / weighted by atomic Sanderson electronegativities
Mor25e	3D-MoRSE - signal 25 / weighted by atomic Sanderson electronegativities
Mor26e	3D-MoRSE - signal 26 / weighted by atomic Sanderson electronegativities
Mor27e	3D-MoRSE - signal 27 / weighted by atomic Sanderson electronegativities
Mor28e	3D-MoRSE - signal 28 / weighted by atomic Sanderson electronegativities
Mor29e	3D-MoRSE - signal 29 / weighted by atomic Sanderson electronegativities
Mor30e	3D-MoRSE - signal 30 / weighted by atomic Sanderson electronegativities
Mor31e	3D-MoRSE - signal 31 / weighted by atomic Sanderson electronegativities
Mor32e	3D-MoRSE - signal 32 / weighted by atomic Sanderson electronegativities
Mor01p	3D-MoRSE - signal 01 / weighted by atomic polarizabilities
Mor02p	3D-MoRSE - signal 02 / weighted by atomic polarizabilities
Mor03p	3D-MoRSE - signal 03 / weighted by atomic polarizabilities
Mor04p	3D-MoRSE - signal 04 / weighted by atomic polarizabilities
Mor05p	3D-MoRSE - signal 05 / weighted by atomic polarizabilities
Mor06p	3D-MoRSE - signal 06 / weighted by atomic polarizabilities
Mor07p	3D-MoRSE - signal 07 / weighted by atomic polarizabilities
Mor08p	3D-MoRSE - signal 08 / weighted by atomic polarizabilities
Mor09p	3D-MoRSE - signal 09 / weighted by atomic polarizabilities
Mor10p	3D-MoRSE - signal 10 / weighted by atomic polarizabilities
Mor11p	3D-MoRSE - signal 11 / weighted by atomic polarizabilities
Mor12p	3D-MoRSE - signal 12 / weighted by atomic polarizabilities
Mor13p	3D-MoRSE - signal 13 / weighted by atomic polarizabilities
Mor14p	3D-MoRSE - signal 14 / weighted by atomic polarizabilities
Mor15p	3D-MoRSE - signal 15 / weighted by atomic polarizabilities
Mor16p	3D-MoRSE - signal 16 / weighted by atomic polarizabilities
Mor17p	3D-MoRSE - signal 17 / weighted by atomic polarizabilities
Mor18p	3D-MoRSE - signal 18 / weighted by atomic polarizabilities
Mor19p	3D-MoRSE - signal 19 / weighted by atomic polarizabilities
Mor20p	3D-MoRSE - signal 20 / weighted by atomic polarizabilities
Mor21p	3D-MoRSE - signal 21 / weighted by atomic polarizabilities
Mor22p	3D-MoRSE - signal 22 / weighted by atomic polarizabilities
Mor23p	3D-MoRSE - signal 23 / weighted by atomic polarizabilities
Mor24p	3D-MoRSE - signal 24 / weighted by atomic polarizabilities
Mor25p	3D-MoRSE - signal 25 / weighted by atomic polarizabilities
Mor26p	3D-MoRSE - signal 26 / weighted by atomic polarizabilities
Mor27p	3D-MoRSE - signal 27 / weighted by atomic polarizabilities
Mor28p	3D-MoRSE - signal 28 / weighted by atomic polarizabilities
Mor29p	3D-MoRSE - signal 29 / weighted by atomic polarizabilities
Mor30p	3D-MoRSE - signal 30 / weighted by atomic polarizabilities
Mor31p	3D-MoRSE - signal 31 / weighted by atomic polarizabilities
Mor32p	3D-MoRSE - signal 32 / weighted by atomic polarizabilities
L1u	1st component size directional WHIM index / unweighted
L2u	2nd component size directional WHIM index / unweighted
L3u	3rd component size directional WHIM index / unweighted
P1u	1st component shape directional WHIM index / unweighted
P2u	2nd component shape directional WHIM index / unweighted
G1u	1st component symmetry directional WHIM index / unweighted
G2u	2st component symmetry directional WHIM index / unweighted
G3u	3st component symmetry directional WHIM index / unweighted
E1u	1st component accessibility directional WHIM index / unweighted
E2u	2nd component accessibility directional WHIM index / unweighted
E3u	3rd component accessibility directional WHIM index / unweighted
L1m	1st component size directional WHIM index / weighted by atomic masses
L2m	2nd component size directional WHIM index / weighted by atomic masses
L3m	3rd component size directional WHIM index / weighted by atomic masses
P1m	1st component shape directional WHIM index / weighted by atomic masses
P2m	2nd component shape directional WHIM index / weighted by atomic masses
G1m	1st component symmetry directional WHIM index / weighted by atomic masses
G2m	2st component symmetry directional WHIM index / weighted by atomic masses
G3m	3st component symmetry directional WHIM index / weighted by atomic masses
E1m	1st component accessibility directional WHIM index / weighted by atomic masses
E2m	2nd component accessibility directional WHIM index / weighted by atomic masses
E3m	3rd component accessibility directional WHIM index / weighted by atomic masses
L1v	1st component size directional WHIM index / weighted by atomic van der Waals volumes
L2v	2nd component size directional WHIM index / weighted by atomic van der Waals volumes
L3v	3rd component size directional WHIM index / weighted by atomic van der Waals volumes
P1v	1st component shape directional WHIM index / weighted by atomic van der Waals volumes
P2v	2nd component shape directional WHIM index / weighted by atomic van der Waals volumes
G1v	1st component symmetry directional WHIM index / weighted by atomic van der Waals volumes
G2v	2st component symmetry directional WHIM index / weighted by atomic van der Waals volumes
G3v	3st component symmetry directional WHIM index / weighted by atomic van der Waals volumes
E1v	1st component accessibility directional WHIM index / weighted by atomic van der Waals volumes
E2v	2nd component accessibility directional WHIM index / weighted by atomic van der Waals volumes
E3v	3rd component accessibility directional WHIM index / weighted by atomic van der Waals volumes
L1e	1st component size directional WHIM index / weighted by atomic Sanderson electronegativities
L2e	2nd component size directional WHIM index / weighted by atomic Sanderson electronegativities
L3e	3rd component size directional WHIM index / weighted by atomic Sanderson electronegativities
P1e	1st component shape directional WHIM index / weighted by atomic Sanderson electronegativities
P2e	2nd component shape directional WHIM index / weighted by atomic Sanderson electronegativities
G1e	1st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities
G2e	2st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities
G3e	3st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities
E1e	1st component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities
E2e	2nd component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities
E3e	3rd component accessibility directional WHIM index / weighted by atomic Sanderson electronegativities
L1p	1st component size directional WHIM index / weighted by atomic polarizabilities
L2p	2nd component size directional WHIM index / weighted by atomic polarizabilities
L3p	3rd component size directional WHIM index / weighted by atomic polarizabilities
P1p	1st component shape directional WHIM index / weighted by atomic polarizabilities
P2p	2nd component shape directional WHIM index / weighted by atomic polarizabilities
G1p	1st component symmetry directional WHIM index / weighted by atomic polarizabilities
G2p	2st component symmetry directional WHIM index / weighted by atomic polarizabilities
G3p	3st component symmetry directional WHIM index / weighted by atomic polarizabilities
E1p	1st component accessibility directional WHIM index / weighted by atomic polarizabilities
E2p	2nd component accessibility directional WHIM index / weighted by atomic polarizabilities
E3p	3rd component accessibility directional WHIM index / weighted by atomic polarizabilities
L1s	1st component size directional WHIM index / weighted by atomic electrotopological states
L2s	2nd component size directional WHIM index / weighted by atomic electrotopological states
L3s	3rd component size directional WHIM index / weighted by atomic electrotopological states
P1s	1st component shape directional WHIM index / weighted by atomic electrotopological states
P2s	2nd component shape directional WHIM index / weighted by atomic electrotopological states
G1s	1st component symmetry directional WHIM index / weighted by atomic electrotopological states
G2s	2st component symmetry directional WHIM index / weighted by atomic electrotopological states
G3s	3st component symmetry directional WHIM index / weighted by atomic electrotopological states
E1s	1st component accessibility directional WHIM index / weighted by atomic electrotopological states
E2s	2nd component accessibility directional WHIM index / weighted by atomic electrotopological states
E3s	3rd component accessibility directional WHIM index / weighted by atomic electrotopological states
Tu	T total size index / unweighted
Tm	T total size index / weighted by atomic masses
Tv	T total size index / weighted by atomic van der Waals volumes
Te	T total size index / weighted by atomic Sanderson electronegativities
Tp	T total size index / weighted by atomic polarizabilities
Ts	T total size index / weighted by atomic electrotopological states
Au	A total size index / unweighted
Am	A total size index / weighted by atomic masses
Av	A total size index / weighted by atomic van der Waals volumes
Ae	A total size index / weighted by atomic Sanderson electronegativities
Ap	A total size index / weighted by atomic polarizabilities
As	A total size index / weighted by atomic electrotopological states
Gu	G total symmetry index / unweighted
Gm	G total symmetry index / weighted by atomic masses
Gs	G total symmetry index / weighted by atomic electrotopological states
Ku	K global shape index / unweighted
Km	K global shape index / weighted by atomic masses
Kv	K global shape index / weighted by atomic van der Waals volumes
Ke	K global shape index / weighted by atomic Sanderson electronegativities
Kp	K global shape index / weighted by atomic polarizabilities
Ks	K global shape index / weighted by atomic electrotopological states
Du	D total accessibility index / unweighted
Dm	D total accessibility index / weighted by atomic masses
Dv	D total accessibility index / weighted by atomic van der Waals volumes
De	D total accessibility index / weighted by atomic Sanderson electronegativities
Dp	D total accessibility index / weighted by atomic polarizabilities
Ds	D total accessibility index / weighted by atomic electrotopological states
Vu	V total size index / unweighted
Vm	V total size index / weighted by atomic masses
Vv	V total size index / weighted by atomic van der Waals volumes
Ve	V total size index / weighted by atomic Sanderson electronegativities
Vp	V total size index / weighted by atomic polarizabilities
Vs	V total size index / weighted by atomic electrotopological states
ITH	total information content on the leverage equality
ISH	standardized information content on the leverage equality
HIC	mean information content on the leverage magnitude
HGM	geometric mean on the leverage magnitude
H0u	H autocorrelation of lag 0 / unweighted
H1u	H autocorrelation of lag 1 / unweighted
H2u	H autocorrelation of lag 2 / unweighted
H3u	H autocorrelation of lag 3 / unweighted
H4u	H autocorrelation of lag 4 / unweighted
H5u	H autocorrelation of lag 5 / unweighted
H6u	H autocorrelation of lag 6 / unweighted
H7u	H autocorrelation of lag 7 / unweighted
H8u	H autocorrelation of lag 8 / unweighted
HTu	H total index / unweighted
HATS0u	leverage-weighted autocorrelation of lag 0 / unweighted
HATS1u	leverage-weighted autocorrelation of lag 1 / unweighted
HATS2u	leverage-weighted autocorrelation of lag 2 / unweighted
HATS3u	leverage-weighted autocorrelation of lag 3 / unweighted
HATS4u	leverage-weighted autocorrelation of lag 4 / unweighted
HATS5u	leverage-weighted autocorrelation of lag 5 / unweighted
HATS6u	leverage-weighted autocorrelation of lag 6 / unweighted
HATS7u	leverage-weighted autocorrelation of lag 7 / unweighted
HATS8u	leverage-weighted autocorrelation of lag 8 / unweighted
HATSu	leverage-weighted total index / unweighted
H0m	H autocorrelation of lag 0 / weighted by atomic masses
H1m	H autocorrelation of lag 1 / weighted by atomic masses
H2m	H autocorrelation of lag 2 / weighted by atomic masses
H3m	H autocorrelation of lag 3 / weighted by atomic masses
H4m	H autocorrelation of lag 4 / weighted by atomic masses
H5m	H autocorrelation of lag 5 / weighted by atomic masses
H6m	H autocorrelation of lag 6 / weighted by atomic masses
H7m	H autocorrelation of lag 7 / weighted by atomic masses
H8m	H autocorrelation of lag 8 / weighted by atomic masses
HTm	H total index / weighted by atomic masses
HATS0m	leverage-weighted autocorrelation of lag 0 / weighted by atomic masses
HATS1m	leverage-weighted autocorrelation of lag 1 / weighted by atomic masses
HATS2m	leverage-weighted autocorrelation of lag 2 / weighted by atomic masses
HATS3m	leverage-weighted autocorrelation of lag 3 / weighted by atomic masses
HATS4m	leverage-weighted autocorrelation of lag 4 / weighted by atomic masses
HATS5m	leverage-weighted autocorrelation of lag 5 / weighted by atomic masses
HATS6m	leverage-weighted autocorrelation of lag 6 / weighted by atomic masses
HATS7m	leverage-weighted autocorrelation of lag 7 / weighted by atomic masses
HATS8m	leverage-weighted autocorrelation of lag 8 / weighted by atomic masses
HATSm	leverage-weighted total index / weighted by atomic masses
H0v	H autocorrelation of lag 0 / weighted by atomic van der Waals volumes
H1v	H autocorrelation of lag 1 / weighted by atomic van der Waals volumes
H2v	H autocorrelation of lag 2 / weighted by atomic van der Waals volumes
H3v	H autocorrelation of lag 3 / weighted by atomic van der Waals volumes
H4v	H autocorrelation of lag 4 / weighted by atomic van der Waals volumes
H5v	H autocorrelation of lag 5 / weighted by atomic van der Waals volumes
H6v	H autocorrelation of lag 6 / weighted by atomic van der Waals volumes
H7v	H autocorrelation of lag 7 / weighted by atomic van der Waals volumes
H8v	H autocorrelation of lag 8 / weighted by atomic van der Waals volumes
HTv	H total index / weighted by atomic van der Waals volumes
HATS0v	leverage-weighted autocorrelation of lag 0 / weighted by atomic van der Waals volumes
HATS1v	leverage-weighted autocorrelation of lag 1 / weighted by atomic van der Waals volumes
HATS2v	leverage-weighted autocorrelation of lag 2 / weighted by atomic van der Waals volumes
HATS3v	leverage-weighted autocorrelation of lag 3 / weighted by atomic van der Waals volumes
HATS4v	leverage-weighted autocorrelation of lag 4 / weighted by atomic van der Waals volumes
HATS5v	leverage-weighted autocorrelation of lag 5 / weighted by atomic van der Waals volumes
HATS6v	leverage-weighted autocorrelation of lag 6 / weighted by atomic van der Waals volumes
HATS7v	leverage-weighted autocorrelation of lag 7 / weighted by atomic van der Waals volumes
HATS8v	leverage-weighted autocorrelation of lag 8 / weighted by atomic van der Waals volumes
HATSv	leverage-weighted total index / weighted by atomic van der Waals volumes
H0e	H autocorrelation of lag 0 / weighted by atomic Sanderson electronegativities
H1e	H autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities
H2e	H autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities
H3e	H autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities
H4e	H autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities
H5e	H autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities
H6e	H autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities
H7e	H autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities
H8e	H autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities
HTe	H total index / weighted by atomic Sanderson electronegativities
HATS0e	leverage-weighted autocorrelation of lag 0 / weighted by atomic Sanderson electronegativities
HATS1e	leverage-weighted autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities
HATS2e	leverage-weighted autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities
HATS3e	leverage-weighted autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities
HATS4e	leverage-weighted autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities
HATS5e	leverage-weighted autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities
HATS6e	leverage-weighted autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities
HATS7e	leverage-weighted autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities
HATS8e	leverage-weighted autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities
HATSe	leverage-weighted total index / weighted by atomic Sanderson electronegativities
H0p	H autocorrelation of lag 0 / weighted by atomic polarizabilities
H1p	H autocorrelation of lag 1 / weighted by atomic polarizabilities
H2p	H autocorrelation of lag 2 / weighted by atomic polarizabilities
H3p	H autocorrelation of lag 3 / weighted by atomic polarizabilities
H4p	H autocorrelation of lag 4 / weighted by atomic polarizabilities
H5p	H autocorrelation of lag 5 / weighted by atomic polarizabilities
H6p	H autocorrelation of lag 6 / weighted by atomic polarizabilities
H7p	H autocorrelation of lag 7 / weighted by atomic polarizabilities
H8p	H autocorrelation of lag 8 / weighted by atomic polarizabilities
HTp	H total index / weighted by atomic polarizabilities
HATS0p	leverage-weighted autocorrelation of lag 0 / weighted by atomic polarizabilities
HATS1p	leverage-weighted autocorrelation of lag 1 / weighted by atomic polarizabilities
HATS2p	leverage-weighted autocorrelation of lag 2 / weighted by atomic polarizabilities
HATS3p	leverage-weighted autocorrelation of lag 3 / weighted by atomic polarizabilities
HATS4p	leverage-weighted autocorrelation of lag 4 / weighted by atomic polarizabilities
HATS5p	leverage-weighted autocorrelation of lag 5 / weighted by atomic polarizabilities
HATS6p	leverage-weighted autocorrelation of lag 6 / weighted by atomic polarizabilities
HATS7p	leverage-weighted autocorrelation of lag 7 / weighted by atomic polarizabilities
HATS8p	leverage-weighted autocorrelation of lag 8 / weighted by atomic polarizabilities
HATSp	leverage-weighted total index / weighted by atomic polarizabilities
RCON	Randic-type R matrix connectivity
RARS	R matrix average row sum
REIG	first eigenvalue of the R matrix
R1u	R autocorrelation of lag 1 / unweighted
R2u	R autocorrelation of lag 2 / unweighted
R3u	R autocorrelation of lag 3 / unweighted
R4u	R autocorrelation of lag 4 / unweighted
R5u	R autocorrelation of lag 5 / unweighted
R6u	R autocorrelation of lag 6 / unweighted
R7u	R autocorrelation of lag 7 / unweighted
R8u	R autocorrelation of lag 8 / unweighted
RTu	R total index / unweighted
R1u+	R maximal autocorrelation of lag 1 / unweighted
R2u+	R maximal autocorrelation of lag 2 / unweighted
R3u+	R maximal autocorrelation of lag 3 / unweighted
R4u+	R maximal autocorrelation of lag 4 / unweighted
R5u+	R maximal autocorrelation of lag 5 / unweighted
R6u+	R maximal autocorrelation of lag 6 / unweighted
R7u+	R maximal autocorrelation of lag 7 / unweighted
R8u+	R maximal autocorrelation of lag 8 / unweighted
RTu+	R maximal index / unweighted
R1m	R autocorrelation of lag 1 / weighted by atomic masses
R2m	R autocorrelation of lag 2 / weighted by atomic masses
R3m	R autocorrelation of lag 3 / weighted by atomic masses
R4m	R autocorrelation of lag 4 / weighted by atomic masses
R5m	R autocorrelation of lag 5 / weighted by atomic masses
R6m	R autocorrelation of lag 6 / weighted by atomic masses
R7m	R autocorrelation of lag 7 / weighted by atomic masses
R8m	R autocorrelation of lag 8 / weighted by atomic masses
RTm	R total index / weighted by atomic masses
R1m+	R maximal autocorrelation of lag 1 / weighted by atomic masses
R2m+	R maximal autocorrelation of lag 2 / weighted by atomic masses
R3m+	R maximal autocorrelation of lag 3 / weighted by atomic masses
R4m+	R maximal autocorrelation of lag 4 / weighted by atomic masses
R5m+	R maximal autocorrelation of lag 5 / weighted by atomic masses
R6m+	R maximal autocorrelation of lag 6 / weighted by atomic masses
R7m+	R maximal autocorrelation of lag 7 / weighted by atomic masses
R8m+	R maximal autocorrelation of lag 8 / weighted by atomic masses
RTm+	R maximal index / weighted by atomic masses
R1v	R autocorrelation of lag 1 / weighted by atomic van der Waals volumes
R2v	R autocorrelation of lag 2 / weighted by atomic van der Waals volumes
R3v	R autocorrelation of lag 3 / weighted by atomic van der Waals volumes
R4v	R autocorrelation of lag 4 / weighted by atomic van der Waals volumes
R5v	R autocorrelation of lag 5 / weighted by atomic van der Waals volumes
R6v	R autocorrelation of lag 6 / weighted by atomic van der Waals volumes
R7v	R autocorrelation of lag 7 / weighted by atomic van der Waals volumes
R8v	R autocorrelation of lag 8 / weighted by atomic van der Waals volumes
RTv	R total index / weighted by atomic van der Waals volumes
R1v+	R maximal autocorrelation of lag 1 / weighted by atomic van der Waals volumes
R2v+	R maximal autocorrelation of lag 2 / weighted by atomic van der Waals volumes
R3v+	R maximal autocorrelation of lag 3 / weighted by atomic van der Waals volumes
R4v+	R maximal autocorrelation of lag 4 / weighted by atomic van der Waals volumes
R5v+	R maximal autocorrelation of lag 5 / weighted by atomic van der Waals volumes
R6v+	R maximal autocorrelation of lag 6 / weighted by atomic van der Waals volumes
R7v+	R maximal autocorrelation of lag 7 / weighted by atomic van der Waals volumes
R8v+	R maximal autocorrelation of lag 8 / weighted by atomic van der Waals volumes
RTv+	R maximal index / weighted by atomic van der Waals volumes
R1e	R autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities
R2e	R autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities
R3e	R autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities
R4e	R autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities
R5e	R autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities
R6e	R autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities
R7e	R autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities
R8e	R autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities
RTe	R total index / weighted by atomic Sanderson electronegativities
R1e+	R maximal autocorrelation of lag 1 / weighted by atomic Sanderson electronegativities
R2e+	R maximal autocorrelation of lag 2 / weighted by atomic Sanderson electronegativities
R3e+	R maximal autocorrelation of lag 3 / weighted by atomic Sanderson electronegativities
R4e+	R maximal autocorrelation of lag 4 / weighted by atomic Sanderson electronegativities
R5e+	R maximal autocorrelation of lag 5 / weighted by atomic Sanderson electronegativities
R6e+	R maximal autocorrelation of lag 6 / weighted by atomic Sanderson electronegativities
R7e+	R maximal autocorrelation of lag 7 / weighted by atomic Sanderson electronegativities
R8e+	R maximal autocorrelation of lag 8 / weighted by atomic Sanderson electronegativities
RTe+	R maximal index / weighted by atomic Sanderson electronegativities
R1p	R autocorrelation of lag 1 / weighted by atomic polarizabilities
R2p	R autocorrelation of lag 2 / weighted by atomic polarizabilities
R3p	R autocorrelation of lag 3 / weighted by atomic polarizabilities
R4p	R autocorrelation of lag 4 / weighted by atomic polarizabilities
R5p	R autocorrelation of lag 5 / weighted by atomic polarizabilities
R6p	R autocorrelation of lag 6 / weighted by atomic polarizabilities
R7p	R autocorrelation of lag 7 / weighted by atomic polarizabilities
R8p	R autocorrelation of lag 8 / weighted by atomic polarizabilities
RTp	R total index / weighted by atomic polarizabilities
R1p+	R maximal autocorrelation of lag 1 / weighted by atomic polarizabilities
R2p+	R maximal autocorrelation of lag 2 / weighted by atomic polarizabilities
R3p+	R maximal autocorrelation of lag 3 / weighted by atomic polarizabilities
R4p+	R maximal autocorrelation of lag 4 / weighted by atomic polarizabilities
R5p+	R maximal autocorrelation of lag 5 / weighted by atomic polarizabilities
R6p+	R maximal autocorrelation of lag 6 / weighted by atomic polarizabilities
R7p+	R maximal autocorrelation of lag 7 / weighted by atomic polarizabilities
R8p+	R maximal autocorrelation of lag 8 / weighted by atomic polarizabilities
RTp+	R maximal index / weighted by atomic polarizabilities
nCp	number of terminal primary C(sp3) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.)
nCs	number of total secondary C(sp3) Y = H or any heteroatom
nCt	number of total tertiary C(sp3) Y = H or any heteroatom
nCq	number of total quaternary C(sp3)
nCrs	number of ring secondary C(sp3) Y = H or any heteroatom
nCrt	number of ring tertiary C(sp3) Y = H or any heteroatom
nCrq	number of ring quaternary C(sp3)
nCar	number of aromatic C(sp2)
nCbH	number of unsubstituted benzene C(sp2)
nCb–	number of substituted benzene C(sp2) Y = carbon or any heteroatom
nCconj	number of non-aromatic conjugated C(sp2)
nR=Cp	number of terminal primary C(sp2) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.)
nR=Cs	number of aliphatic secondary C(sp2) Y = H or any heteroatom
nR=Ct	number of aliphatic tertiary C(sp2)
n=C=	number of allenes groups
nR#CH/X	number of terminal C(sp) Y = any terminal atom or heteroaromatic group (i.e. H, X, OH, NH2, etc.)
nR#C–	number of non-terminal C(sp) Y = C or any non-terminal heteroatom
nROCN	number of cyanates (aliphatic)
nArOCN	number of cyanates (aromatic)
nRNCO	number of isocyanates (aliphatic)
nArNCO	number of isocyanates (aromatic)
nRSCN	number of thiocyanates (aliphatic)
nArSCN	number of thiocyanates (aromatic)
nRNCS	number of isothiocyanates (aliphatic)
nArNCS	number of isothiocyanates (aromatic)
nRCOOH	number of carboxylic acids (aliphatic)
nArCOOH	number of carboxylic acids (aromatic)
nRCOOR	number of esters (aliphatic) Y = Ar or Al (not H)                                  Al = H or aliphatic group linked through C
nArCOOR	number of esters (aromatic) Y = Al or Ar
nRCONH2	number of primary amides (aliphatic) Al = H or aliphatic group linked through C
nArCONH2	number of primary amides (aromatic)
nRCONHR	number of secondary amides (aliphatic)   Y = Ar or Al (not H, not C = O) Al = H or aliphatic group linked through C
nArCONHR	number of secondary amides (aromatic) Y = Ar or Al (not H, not C = O)
nRCONR2	number of tertiary amides (aliphatic)  Y = Ar or Al (not H, not C = O) Al = H or aliphatic group linked through C
nArCONR2	number of tertiary amides (aromatic) Y = Ar or Al (not H, not C = O)
nROCON	number of (thio-) carbamates (aliphatic) Y = O or S Al = H or aliphatic group linked through any atom
nArOCON	number of (thio-) carbamates (aromatic) Y1 = O or S Y2 = H or aliphatic or aromatic group linked through any atom Ar = aromatic group linked through any atom
nRCOX	number of acyl halogenides (aliphatic)
nArCOX	number of acyl halogenides (aromatic)
nRCSOH	number of thioacids (aliphatic)
nArCSOH	number of thioacids (aromatic)
nRCSSH	number of dithioacids (aliphatic)
nArCSSH	number of dithioacids (aromatic)
nRCOSR	number of thioesters (aliphatic) Y = Ar or Al (not H) Al = H or aliphatic group linked through C
nArCOSR	number of thioesters (aromatic)
nRCSSR	number of dithioesters (aliphatic) Y = Ar or Al (not H) Al = H or aliphatic group linked through C
nArCSSR	number of dithioesters (aromatic) Y = Ar or Al (not H)
nRCHO	number of aldehydes (aliphatic)
nArCHO	number of aldehydes (aromatic)
nRCO	number of ketones (aliphatic)
nArCO	number of ketones (aromatic) Y = Al or Ar
nCONN	number of urea (-thio) derivatives Y = O or S
nC=O(OR)2	number of carbonate (-thio) derivatives Y = O or S
nN=C-N<	number of amidine derivatives Y = C or H
nC(=N)N2	number of guanidine derivatives
nRC=N	number of imines (aliphatic)  Y = H,C or N (two-connected) Al = H or aliphatic group linked through C
nArC=N	number of imines (aromatic) Y = H,C or N (two-connected)
nRCNO	number of oximes (aliphatic) Y = H, Ar or Al
nArCNO	number of oximes (aromatic) Y = H, Ar or Al
nRNH2	number of primary amines (aliphatic) Al = aliphatic group linked through C  (not C = O)
nArNH2	number of primary amines (aromatic)
nRNHR	number of secondary amines (aliphatic) Al = aliphatic group linked through C  (not C = O)
nArNHR	number of secondary amines (aromatic) Y = Ar or Al (not C = O)
nRNR2	number of tertiary amines (aliphatic) Al = aliphatic group linked through C  (not C = O)
nArNR2	number of tertiary amines (aromatic) Y = Ar or Al (not C = O)
nN-N	number of N hydrazines Y = C or H
nN=N	number of N azo-derivatives Y = C or H
nRCN	number of nitriles (aliphatic)
nArCN	number of nitriles (aromatic)
nN+	number of positive charged N
nNq	number of quaternary N
nRNHO	number of hydroxylamines (aliphatic) Y = H, Al or Ar
nArNHO	number of hydroxylamines (aromatic) Y = H, Al or Ar
nRNNOx	number of N-nitroso groups (aliphatic) Al = H or aliphatic group linked through C
nArNNOx	number of N-nitroso groups (aromatic) Y = H, Al or Ar
nRNO	number of nitroso groups (aliphatic)
nArNO	number of nitroso groups (aromatic)
nRNO2	number of nitro groups (aliphatic) Al = H or aliphatic group linked through carbon
nArNO2	number of nitro groups (aromatic) Al = aromatic group linked through carbon
nN(CO)2	number of imides (thio-) Y = H or C                 Y1 = O or S
nC=N-N<	number of hydrazones Y = C or H
nROH	number of hydroxyl groups Al = aliphatic group linked through any atom
nArOH	number of aromatic hydroxyls Ar = aromatic group linked through any atom
nOHp	number of primary alcohols
nOHs	number of secondary alcohols
nOHt	number of tertiary alcohols
nROR	number of ethers (aliphatic) Al = aliphatic group linked through C (not C = O, not C # N)
nArOR	number of ethers (aromatic) Y = Ar or Al (not C = O, not C # N)
nROX	number of hypohalogenides (aliphatic)
nArOX	number of hypohalogenides (aromatic)
nO(C=O)2	number of anhydrides (thio-) Y = O or S
nH2O	number of water molecules
nSH	number of thiols
nC=S	number of thioketones
nRSR	number of sulfides
nRSSR	number of disulfides
nSO	number of sulfoxides
nS(=O)2	number of sulfones
nSOH	number of sulfenic (thio-) acids Y = O or S
nSOOH	number of sulfinic (thio-/dithio-)acids Y = O or S
nSO2OH	number of sulfonic (thio-/dithio-) acids Y = O or S
nSO3OH	number of sulfuric (thio-/dithio-) acids Y = O or S
nSO2	number of sulfites (thio-/ dithio-) Y = O or S
nSO3	number of sulfonates (thio- / dithio-) Y = O or S
nSO4	number of sulfates (thio- / dithio-) Y = O or S
nSO2N	number of sulfonamides / sulfinamides / sulfenamides (thio- / dithio-)
nPO3	number of phosphites / thiophosphites Y = O or S
nPO4	number of phosphates / thiophosphates Y = O or S
nPR3	number of phosphanes Y = H, C, halogens
nP(=O)O2R	number of phosphonates / thiophosphonates Y = O or S Y1 = H, C, halogens
nP(=O)R3/nPR5	number of phosphoranes / thiophosphoranes Y = O or S
nCH2RX	number of CH2RX
nCHR2X	number of CHR2X
nCR3X	number of CR3X
nR=CHX	number of R=CHX
nR=CRX	number of R=CRX
nR#CX	number of R#CX
nCHRX2	number of CHRX2
nCR2X2	number of CR2X2
nR=CX2	number of R=CX2
nCRX3	number of CRX3
nArX	number of X on aromatic ring
nCXr	number of X on ring C(sp3)
nCXr=	number of X on ring C(sp2)
nCconjX	number of X on exo-conjugated C
nAziridines	number of Aziridines
nOxiranes	number of Oxiranes
nThiranes	number of Thiranes
nAzetidines	number of Azetidines
nOxetanes	number of Oxetanes
nThioethanes	number of Thioethanes
nBeta-Lactams	number of Beta-Lactams
nPyrrolidines	number of Pyrrolidines
nOxolanes	number of Oxolanes
nth-Thiophenes	number of tetrahydro-Thiophenes
nPyrroles	number of Pyrroles
nPyrazoles	number of Pyrazoles
nImidazoles	number of Imidazoles
nFuranes	number of Furanes
nThiophenes	number of Thiophenes
nOxazoles	number of Oxazoles
nIsoxazoles	number of Isoxazoles
nThiazoles	number of Thiazoles
nIsothiazoles	number of Isothiazoles
nTriazoles	number of Triazoles
nPyridines	number of Pyridines
nPyridazines	number of Pyridazines
nPyrimidines	number of Pyrimidines
nPyrazines	number of Pyrazines
n135-Triazines	number of 135-Triazines
n124-Triazines	number of 124-Triazines
nHDon	number of donor atoms for H-bonds (N and O)
nHAcc	number of acceptor atoms for H-bonds (N, O, F)
nHBonds	number of intramolecular H-bonds Y1 = B, N, O, Al, P, S Y2 = N, O, F The geometric distance between H and Y2 must be in the range 1 - 2,7 A.
C-001	CH3R / CH4
C-002	CH2R2
C-003	CHR3
C-004	CR4
C-005	CH3X
C-006	CH2RX
C-007	CH2X2
C-008	CHR2X
C-009	CHRX2
C-010	CHX3
C-011	CR3X
C-012	CR2X2
C-013	CRX3
C-014	CX4
C-015	=CH2
C-016	=CHR
C-017	=CR2
C-018	=CHX
C-019	=CRX
C-020	=CX2
C-021	#CH
C-022	#CR / R=C=R
C-023	#CX
C-024	R--CH--R
C-025	R--CR--R
C-026	R--CX--R
C-027	R--CH--X
C-028	R--CR--X
C-029	R--CX--X
C-030	X--CH--X
C-031	X--CR--X
C-032	X--CX--X
C-033	R--CH..X
C-034	R--CR..X
C-035	R--CX..X
C-036	Al-CH=X
C-037	Ar-CH=X
C-038	Al-C(=X)-Al
C-039	Ar-C(=X)-R
C-040	R-C(=X)-X / R-C#X / X=C=X
C-041	X-C(=X)-X
C-042	X--CH..X
C-043	X--CR..X
C-044	X--CX..X
U-045	undefined
H-046	Ha attached to C0(sp3) no X attached to next C
H-047	Ha attached to C1(sp3) / C0(sp2)
H-048	Ha attached to C2(sp3) / C1(sp2) / C0(sp)
H-049	Ha attached to C3(sp3) / C2(sp2) / C3(sp2) / C3(sp)
H-050	H attached to heteroatom
H-051	H attached to alpha-Cb
H-052	Ha attached to C0(sp3) with 1X attached to next C
H-053	Ha attached to C0(sp3) with 2X attached to next C
H-054	Ha attached to C0(sp3) with 3X attached to next C
H-055	Ha attached to C0(sp3) with 4X attached to next C
O-056	alcohol
O-057	phenol / enol / carboxyl OH
O-058	=O
O-059	Al-O-Al
O-060	Al-O-Ar / Ar-O-Ar / R..O..R / R-O-C=X
O-061	O-- c
O-062	O- (negatively charged)
O-063	R-O-O-R
Se-064	Any-Se-Any
Se-065	=Se
N-066	Al-NH2
N-067	Al2-NH
N-068	Al3-N
N-069	Ar-NH2 / X-NH2
N-070	Ar-NH-Al
N-071	Ar-NAl2
N-072	RCO-N< / >N-X=X
N-073	Ar2NH / Ar3N / Ar2N-Al / R..N..Rd
N-074	R#N / R=N-
N-075	R--N--Re / R--N--X
N-076	Ar-NO2 / R--N(--R)--Of / RO-NO
N-077	Al-NO2
N-078	Ar-N=X / X-N=X
N-079	N+ (positively charged)
U-080	undefined
F-081	Fa attached to C1(sp3)
F-082	Fa attached to C2(sp3)
F-083	Fa attached to C3(sp3)
F-084	Fa attached to C1(sp2)
F-085	Fa attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X
Cl-086	Cla attached to C1(sp3)
Cl-087	Cla attached to C2(sp3)
Cl-088	Cla attached to C3(sp3)
Cl-089	Cla attached to C1(sp2)
Cl-090	Cla attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X
Br-091	Bra attached to C1(sp3)
Br-092	Bra attached to C2(sp3)
Br-093	Bra attached to C3(sp3)
Br-094	Bra attached to C1(sp2)
Br-095	Bra attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X
I-096	Ia attached to C1(sp3)
I-097	Ia attached to C2(sp3)
I-098	Ia attached to C3(sp3)
I-099	Ia attached to C1(sp2)
I-100	Ia attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3) / X
F-101	fluoride ion
Cl-102	chloride ion
Br-103	bromide ion
I-104	iodide ion
U-105	undefined
S-106	R-SH
S-107	R2S / RS-SR
S-108	R=S
S-109	R-SO-R
S-110	R-SO2-R
Si-111	>Si<
B-112	>B- as in boranes
U-113	undefined
U-114	undefined
P-115	P ylids
P-116	R3-P=X
P-117	X3-P=X (phosphate)
P-118	PX3 (phosphite)
P-119	PR3 (phosphine)
P-120	C-P(X)2=X (phosphonate)
qpmax	maximum positive charge
qnmax	maximum negative charge
Qpos	total positive charge
Qneg	total negative charge
Qtot	total absolute charge (electronic charge index - ECI)
Qmean	mean absolute charge (charge polarization)
Q2	total squared charge
RPCG	relative positive charge
RNCG	relative negative charge
SPP	submolecular polarity parameter
TE1	topological electronic descriptor
TE2	topological electronic descriptor (bond resctricted)
PCWTe	partial charge weighted topological electronic descriptor
LDI	local dipole index
Ui	unsaturation index
Hy	hydrophilic factor
AMR	molar refractivity
TPSA(NO)	topological polar surface area using N, O polar contributions
TPSA(tot)	topological polar surface area using N, O, S, P polar contributions
MLogP	Moriguchi octanol-water partition coefficient
MLOGP2	Squared Moriguchi octanol-water partition coeff. (logP^2)
ALOGP	Ghose-Crippen octanol-water partition coeff. (logP)
ALOGP2	Squared Ghose-Crippen octanol-water partition coeff. (logP^2)
LAI	Lipinski alert index
GVWAI-80	Ghose-Viswanadhan-Wendoloski drug-like index at 80%
GVWAI-50	Ghose-Viswanadhan-Wendoloski drug-like index at 50%
Inflammat-80	Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 80%
Inflammat-50	Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 50%
Depressant-80	Ghose-Viswanadhan-Wendoloski antidepressant-like index at 80%
Depressant-50	Ghose-Viswanadhan-Wendoloski antidepressant-like index at 50%
Psychotic-80	Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 80%
Psychotic-50	Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 50%
Hypertens-80	Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 80%
Hypertens-50	Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 50%
Hypnotic-80	Ghose-Viswanadhan-Wendoloski hypnotic-like index at 80%
Hypnotic-50	Ghose-Viswanadhan-Wendoloski hypnotic-like index at 50%
Neoplastic-80	Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 80%
Neoplastic-50	Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 50%
Infective-80	Ghose-Viswanadhan-Wendoloski antiinfective-like index at 80%
Infective-50	Ghose-Viswanadhan-Wendoloski antiinfective-like index at 50% 
BLTF96	Verhaar model of Fish base-line toxicity for Fish (96h) from MLOGP (mmol/l)
BLTD48	Verhaar model of Daphnia base-line toxicity  for Daphnia (48h) from MLOGP (mmol/l)
BLTA96	Verhaar model of Algae base-line toxicity for Algae (96h) from MLOGP (mmol/l)
B01[C-C]	presence/absence of C-C at topological distance 1
B01[C-N]	presence/absence of C-N at topological distance 1
B01[C-O]	presence/absence of C-O at topological distance 1
B01[C-S]	presence/absence of C-S at topological distance 1
B01[C-P]	presence/absence of C-P at topological distance 1
B01[C-F]	presence/absence of C-F at topological distance 1
B01[C-Cl]	presence/absence of C-Cl at topological distance 1
B01[C-Br]	presence/absence of C-Br at topological distance 1
B01[C-I]	presence/absence of C-I at topological distance 1
B01[C-B]	presence/absence of C-B at topological distance 1
B01[C-Si]	presence/absence of C-Si at topological distance 1
B01[C-X]	presence/absence of C-X at topological distance 1
B01[N-N]	presence/absence of N-N at topological distance 1
B01[N-O]	presence/absence of N-O at topological distance 1
.........	..........................................................
B10[Si-X]	presence/absence of Si-X at topological distance 10
B10[X-X]	presence/absence of X-X at topological distance 10
F01[C-C]	frequency of C-C at topological distance 1
F01[C-N]	frequency of C-N at topological distance 1
F01[C-O]	frequency of C-O at topological distance 1
F01[C-S]	frequency of C-S at topological distance 1
F01[C-P]	frequency of C-P at topological distance 1
F01[C-F]	frequency of C-F at topological distance 1
F01[C-Cl]	frequency of C-Cl at topological distance 1
F01[C-Br]	frequency of C-Br at topological distance 1
F01[C-I]	frequency of C-I at topological distance 1
F01[C-B]	frequency of C-B at topological distance 1
F01[C-Si]	frequency of C-Si at topological distance 1
F01[C-X]	frequency of C-X at topological distance 1
F01[N-N]	frequency of N-N at topological distance 1
F01[N-O]	frequency of N-O at topological distance 1
.........	..........................................................
F10[Si-X]	frequency of Si-X at topological distance 10
F10[X-X]	frequency of X-X at topological distance 10