Repository revision
9:a446ea7e2bc1

Repository 'chembl'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chembl

Search ChEMBL database tool metadata
Miscellaneous
for compounds which are similar to a SMILES string
chembl
toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl/0.10.1+galaxy4
0.10.1+galaxy4
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl/0.10.1+galaxy4 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl/0.1.0
chembl
Requirements (dependencies defined in the <requirements> tag set)
name version type
chembl_webresource_client 0.10.1 package
Functional tests
name inputs outputs required files
Test-1 input|smiles: in1.smi
input|format: -f
search|tanimoto: 70
search|type: -t
name: value
in1.smi
value
Test-2 input|smiles: in1.smi
input|format: -f
search|tanimoto: 70
search|type: -t
drugs: True
name: value
in1.smi
value
Test-3 input|smiles: in1.smi
input|format: -f
search|type: -s
name: value
in1.smi
value
Test-4 input|smiles: C1CCCCC1
input|format: -i
search|tanimoto: 70
search|type: -t
name: value
value