Mercurial > repos > ethevenot > multivariate

variableMetadata	msiLevel	hmdb	chemicalClass	gender_PLSDA_XLOAD-p1	gender_PLSDA_XLOAD-p2	gender_PLSDA_VIP	gender_PLSDA_COEFF
(2-methoxyethoxy)propanoic acid isomer	2		Organi	-0.0264533960804348	-0.11167820534833	0.534566887484408	-0.0301164881630172
(gamma)Glu-Leu/Ile	2		AA-pep	0.215029380709267	-0.052070101370722	2.19693439887502	0.102250600362948
1-Methyluric acid	1	HMDB03099	AroHeP:Xenobi	0.0248883039244775	0.137168084320727	0.840864575157865	0.0487200657405008
1-Methylxanthine	1	HMDB10738	AroHeP	0.0294252366946005	0.17839470874386	1.07605980823663	0.0624646738104458
1,3-Dimethyluric acid	1	HMDB01857	AroHeP	0.0218084797067456	0.0919905743386338	0.621526868470041	0.0358089950807086
1,7-Dimethyluric acid	1	HMDB11103	AroHeP	-0.0762686330124252	0.127125226614994	0.53162226128314	0.00553411840038486
2-acetamido-4-methylphenyl acetate	2		AroHoM	-0.171844349042735	0.0410388565326288	1.49419675775507	-0.0597997750884585
2-Aminoadipic acid	1	HMDB00510	AA-pep	-0.0139980459105312	-0.127279041158841	0.768040596352949	-0.0448126719913042
2-Hydroxybenzyl alcohol	1	HMDB59709	AroHoM	0.00388419662902733	0.0384938898028199	0.247553824955657	0.0144544222962476
2-Isopropylmalic acid	1	HMDB00402	Organi	0.183601072035825	0.0148801194395539	1.85445734630077	0.0856389960165746
2-Methylhippuric acid	1	HMDB11723	AA-pep:AcyGly	-0.000558315973023592	-0.111447620082439	0.201301643684473	-0.011743209371721
2,2-Dimethylglutaric acid	1		Lipids	-0.0468880859413811	-0.053891763288825	0.40880817947642	-0.0164192174679446
3-Hydroxybenzyl alcohol	1	HMDB59712	AroHoM	-0.0114277822878926	-0.0921590620698873	0.475586579026237	-0.0276715735502326
3-Hydroxyphenylacetic acid	1	HMDB00440	AroHoM	-0.102738664115437	0.0957578884933522	0.714427572163652	-0.0129381802853409
3-Indole carboxylic acid glucuronide	2	HMDB13189	Carboh	0.0852845514108764	0.0970200657032594	1.05306422950112	0.0538217374549126
3-Methyl-2-oxovaleric acid	1	HMDB00491	Lipids	0.116154841394598	-0.113454963317654	1.0021930025989	0.0396969731893249
3-Methylcrotonylglycine	1	HMDB00459	AA-pep:AcyGly	-0.0411604221389047	-0.106742625782103	0.572017664861618	-0.0303132773179497
3,3-Dimethylglutaric acid	1	HMDB02441	Lipids	-0.0295780982639519	-0.101570030057405	0.568396493339103	-0.0318558310128521
3,4-Dihydroxybenzeneacetic acid	1	HMDB01336	AroHoM	-0.0130084295413985	-0.0889272765146751	0.431468394398352	-0.0249870358260668
3,5-dihydroxybenzoic acid/3,4-dihydroxybenzoic acid	2		AroHoM	-0.073638844409486	0.0518281095566788	0.516128864151152	-0.0102018411128496
3,7-Dimethyluric acid	1	HMDB01982	AroHeP	0.0843356857756119	-0.0357978259176516	0.979298341001711	0.0488451124625525
4-Acetamidobutanoic acid isomer 2	2		Lipids	0.0263500557816467	-0.197603283033812	0.421020531737758	-0.0214796130166116
4-Acetamidobutanoic acid isomer 3	2		Lipids	-0.117976319515429	-0.199533182967694	1.56482124461158	-0.0818670199766019
4-Hydroxybenzoic acid	1	HMDB00500	AroHoM	0.022007404757289	-0.0312375795135532	0.207814594997482	0.00909784294202642
4-Methylhippuric acid/3-Methylhippuric acid	1		AA-pep:AcyGly	0.144738554525126	-0.0852139955074706	1.07127912819748	0.0297462847514451
5-Hydroxyindoleacetic acid	1	HMDB00763	AroHeP	-0.0386800853118471	-0.131881171273201	0.588187443805056	-0.0318184565654416
5-Sulfosalicylic acid	1	HMDB11725	AroHoM	-0.033587058358176	0.0667553714196095	0.23134420291187	-0.00364190038320672
6-(2-hydroxyethoxy)-6-oxohexanoic acid	2		Organi	0.0546347087149229	-0.0326655251412682	0.423349134134132	0.0136768920110159
6-(carboxymethoxy)-hexanoic acid	2		Organi	0.128159906836334	-0.210477009747362	0.901377027210208	-0.011069695615678
9-Methylxanthine	2	HMDB59716	AroHeP	0.0132528413976689	0.0136746681308337	0.177521075887163	0.00931390506792456
Acetaminophen glucuronide	1	HMDB10316	Carboh	-0.180894832174752	-0.0308434934782992	1.61594420025324	-0.0668518677348439
Acetylphenylalanine	1	HMDB00512	AA-pep	-0.100601489068033	-0.0618947027435566	1.12917560684373	-0.0554479771172088
alpha-N-Phenylacetyl-glutamine	1	HMDB06344	AA-pep	-0.228118024889367	0.0796388056117062	1.68058187511613	-0.0457568102285742
Aminosalicyluric acid	2		AA-pep:AcyGly	-0.0961557498227565	0.0806407806208082	0.68024973030447	-0.0146133621386452
Asp-Leu/Ile isomer 1	2		AA-pep	0.198418647487112	-0.109416326303792	1.62562727627469	0.0593624640707594
Asp-Leu/Ile isomer 2	2		AA-pep	0.136985044249277	-0.0630526827385357	1.24451046674128	0.0524560921526237
Aspartic acid	1	HMDB00191	AA-pep	-0.0558854520658138	0.0284265077407575	0.497492313623051	0.0172952573396145
Azelaic acid	1	HMDB00784	Organi	0.0739404545956997	0.100043172530226	1.01497523151491	0.0536134536138059
Benzoic acid isomer	2		AroHoM	-0.0170970036348168	0.0759169607162495	0.372020374980044	0.0201170884494724
Chenodeoxycholic acid isomer	2		Lipids:Steroi	0.0509075513886375	-0.0468197329396647	0.375760290338251	0.0103149210795182
Cinnamoylglycine	1	HMDB11621	AA-pep:AcyGly	-0.204820830877235	0.0583816404447518	1.63031794783958	-0.0562045065903206
Citric acid	1	HMDB00094	Organi	-0.115745990385765	0.0520934694955707	0.884281543022305	-0.0274444071116485
Dehydroepiandrosterone 3-glucuronide	1	HMDB10348	Lipids:Steroi	0.138962025393741	-0.117450095664516	1.03382866063892	0.0293034332907954
Dehydroepiandrosterone sulfate	1	HMDB01032	Lipids:Steroi	0.0875355212664804	-0.0288660175798615	0.747893865839355	0.0292211540520074
Deoxyhexose	1	HMDB00849	Carboh	0.0868730378794678	-0.0109369567143818	0.641784220913865	0.0176819640981486
Dimethylguanosine	2	HMDB04824	Nucleo	0.0225589365561386	-0.0998369971413874	0.363906725620914	0.0199044484213489
FMNH2	2	HMDB01142	AroHeP	0.0761359900106438	-0.132100416287033	0.562546376485795	0.015508507860117
Fumaric acid	1	HMDB00134	Lipids	-0.0288309766095334	0.0797153199377705	0.376772734459233	-0.0196240243059556
Gentisic acid	1	HMDB00152	AroHoM	0.00405382975898145	-0.000242759937231457	0.354684420885868	0.0207210081010583
Glu-Val	2	HMDB59717	AA-pep	0.237318608134223	-0.148602396858998	2.04972814659384	0.0813044144532301
Gluconic acid and/or isomers	2		Carboh	-0.139197453394008	0.0723399673384782	1.16699925031418	-0.0443136273207477
Glucuronic acid and/or isomers	2		Carboh	-0.121321295133381	0.196162211162818	0.818998344601569	-0.00384294383399568
Glyceric acid	1	HMDB00139	Carboh	-0.106892387155289	0.0855342307631905	1.01375695347219	-0.0445532593033951
Glycocholic acid isomer 2	2		Lipids:Steroi	0.0713766073268148	-0.220520342643223	0.510066531459371	-0.00770668037592535
Glycocholic acid isomer 3	2		Lipids:Steroi	0.0230895547497891	-0.181198046484702	0.921517053109066	-0.0522588206724414
Heptylmalonic acid	2	HMDB59719	Lipids	0.0621045840570862	-0.0261276432704186	0.444984021432638	0.0104718079492846
Hexanoylglycine	1	HMDB00701	AA-pep:AcyGly	-0.0616713616201962	-0.15316386942591	1.09024655039034	-0.060479210447512
Hippuric acid	1	HMDB00714	AA-pep:AcyGly	-0.156834567441145	0.240283063468849	1.09529364244301	0.0118630417973223
Hydroxybenzyl alcohol isomer	2		AroHeM	-0.0796128928138848	-0.0179501096877222	0.708130991258527	-0.0291492745311942
Hydroxyphenyllactic acid	1	HMDB00755	AroHoM	-0.0258133846193332	0.0889769483581792	0.376781632056118	0.0187253488202618
Hydroxysuberic acid isomer 1	2		Organi	0.0117018405680171	-0.0226538089090032	0.0877338742548368	0.00255972903883475
Hydroxysuberic acid isomer 2	2		Organi	-0.000156002785633886	-0.0396302424364588	0.27056940518235	-0.0157696488338723
Isovalerylalanine isomer	2		AA-pep	0.00192202010361228	-0.109551260329446	0.311686932597969	-0.0180902747365508
Ketoleucine	1	HMDB00695	Lipids	0.0584671196397704	-0.13788648862033	0.667453351822387	0.03303828613796
Kynurenic acid	1	HMDB00715	AA-pep	0.08776648925034	-0.144695267799005	0.598301484838424	0.0073731259653737
Malic acid	1	HMDB00156	Organi	-0.201604389995419	-0.150159278198087	2.28264486312256	-0.112556836914756
Methoxysalicylic acid isomer	2		AroHoM	-0.0426124630377006	0.0720671274728752	0.320577206136001	0.00702421201629002
Methyl (hydroxymethyl)pyrrolidine-carboxylate/Methyl (hydroxy)piperidine-carboxylate	2		AA-pep	0.193620021373416	-0.0612729727212771	1.72387955346757	0.0710428678634686
Methylinosine	2		Nucleo	0.0612270313987924	-0.157069204977293	0.413530200186669	0.000969250724142494
Mevalonic acid isomer 1	2		Organi	0.0417810468681102	-0.172205900911676	0.417014795290183	-0.0167006223610338
Monoethyl phthalate	2	HMDB02120	AroHoM:Xenobi	-0.0872951519275756	-0.0921586500708559	1.1578568541026	-0.0605755837018849
N-Acetyl-aspartic acid	1	HMDB00812	AA-pep	-0.129061678025211	-0.0543994024646162	1.29039842418591	-0.0591625007029932
N-Acetylisoleucine	1		AA-pep	0.114428826399456	-0.156573535875478	0.773550799109944	0.00568634747447987
N-Acetylleucine	1	HMDB11756	AA-pep	0.114995329222772	0.00697958478730607	0.893177007295018	0.0290366795650092
N-Acetyltryptophan	1	HMDB13713	AA-pep	-0.0184698598024318	-0.114747864943619	0.942368847459126	-0.0549557135177012
N-Acetyltryptophan isomer 3	2		AA-pep	-0.0666779005605076	0.0636764537693482	0.706317372446201	0.0298053398825698
N2-Acetylaminoadipic acid	2		AA-pep	0.0772346542294805	-0.261966396125132	1.07206155161003	-0.0523680148371985
N4-Acetylcytidine	1	HMDB05923	Nucleo	0.0847481421451205	-0.170084160227724	0.743940797869561	0.0301385143332598
Nicotinuric acid isomer	2		AA-pep	0.00350587288774565	0.0456990987797057	0.286267925962423	-0.0165224360510446
Ortho-Hydroxyphenylacetic acid	1	HMDB00669	AroHoM	0.0446798868465686	-0.0448460899878335	0.409655504735513	0.0174330580649198
Oxoglutaric acid	2	HMDB00208	Organi	-0.0885618882647755	-0.223162696782007	1.69213407963097	-0.0947752698806134
p-Anisic acid	1	HMDB01101	AroHoM	-0.209119896129354	-0.0575777692049413	2.12382919172727	-0.09845018541737
p-Hydroxyhippuric acid	2	HMDB13678	AA-pep:AcyGly	-0.0242475034787083	-0.00542917833699946	0.717203229443935	-0.0413813797610501
p-Hydroxymandelic acid	1	HMDB00822	AroHoM	0.151843054025607	-0.0537108471389066	1.69160945793213	0.0827612885492485
p-Hydroxyphenylacetic acid	1	HMDB00020	AroHoM	0.0788948614861906	-0.126098148843614	0.660033407150012	-0.0204562323604913
Pantothenic acid	1	HMDB00210	AliAcy	-0.1809403633558	-0.0870613574225381	1.92739039381665	-0.0920588983030383
Pentose	2		Carboh	-0.045820367991164	0.181862527732366	0.32401051260784	0.0043093177799266
Phe-Tyr-Asp (and isomers)	2		AA-pep	-0.210812113825368	0.164393630661599	1.43587391253079	-0.0171858755034385
Porphobilinogen	1	HMDB00245	Organi	0.204737795877497	-0.0671482178949927	1.59345101128387	0.0520771659336949
Pyridoxic acid isomer 1	2		AroHeM	-0.0829768387516496	-0.158736444318662	0.905007311397265	-0.0437964161906359
Pyridylacetylglycine	2	HMDB59723	AA-pep:AcyGly:Xenobi	0.0312900936984093	-0.176465850969577	0.211396514745876	0.000396947870516751
Pyrocatechol sulfate	2	HMDB59724	AroHoM	-0.0498965433939977	0.169664845803418	0.412237015554929	0.0124186139280629
Pyroglutamic acid	1	HMDB00267	AliHeM	0.0189307999015546	0.119386444222726	1.18258406005736	0.0690447757212343
Pyrroledicarboxylic acid	2		AroHeM	0.0268195285653315	0.0973927184905658	0.658221052398451	0.037641957143435
Pyruvic acid	1	HMDB00243	Organi	-0.0908754808675741	-0.185533018181901	1.20939362822897	-0.0633339055525227
Quinic acid	1	HMDB03072	AliHoM	-0.0549567307420107	0.181154137495899	0.424933212625627	0.0104991249733459
Salicylic acid	1	HMDB01895	AroHoM:Xenobi	-0.0624146087894961	0.155064943732718	0.422369245951457	-6.09647464554029e-05
Sebacic acid	1	HMDB00792	Organi	0.02263026905139	-0.0515381693646031	0.202122785756617	-0.0070631303436504
Suberic acid	1	HMDB00893	Organi	0.107804403803481	0.00631645943829603	1.08275276956317	0.0498036741516561
Sulfosalicylic acid isomer	2		AroHoM	-0.11653864973957	-0.0436330578416286	0.878112737932579	-0.02607153995309
Taurine	1	HMDB00251	Organi	0.00666644607106712	0.0804255774769933	0.478854316102043	0.027969020203755
Testosterone glucuronide	2	HMDB03193	Lipids:Steroi	0.228788868191446	-0.124593960789805	2.50230567135035	0.121274319724892
Tetrahydrohippuric acid	2		AA-pep:AcyGly	-0.0734066506770276	0.147807755520519	0.527771767855639	0.00848020298342776
Threo-3-Phenylserine	1	HMDB02184	AA-pep	-0.0896043906654307	0.105827201663234	0.614477407686289	0.00373845989944962
Threonic acid/Erythronic acid	2		Carboh	-0.121714561588804	0.158436592430749	0.848922664727633	0.00895376894575587
Tryptophan	1	HMDB00929	AA-pep	0.0595168000941578	0.110616060891389	1.00012127424005	0.0550710086190382
Valerylglycine isomer 1	2		AA-pep:AcyGly	-0.0976521351001899	-0.0374140166940285	0.756403010230009	-0.0244127964743633
Valerylglycine isomer 2	2		AA-pep:AcyGly	-0.0805256314857489	-0.0489947056668428	0.836690241604404	-0.0393687798791939
Xanthosine	1	HMDB00299	Nucleo	0.0536151311284153	-0.165043949804564	0.426917940583261	0.0147295889185868
author	ethevenot
date	Wed, 28 Feb 2018 09:59:25 -0500
parents	fa173e12e185
children