Search ChEMBL database: for compounds which are similar to a SMILES string

toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl/0.10.1+galaxy4

Metadata

Links

bio.tools: ChEMBL

EDAM Operations

Data retrieval

EDAM Topics

Observed Tool Versions

Within GTN tutorials

0.10.1+galaxy4

Relevant Tutorials

Computational Chemistry / Protein-ligand docking
Computational Chemistry / Data management in Medicinal Chemistry