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

toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl/0.10.1+galaxy40.10.1+galaxy4

Metadata

Servers Offering this Tool

UseGalaxy.eu (0.10.1+galaxy4)

This is a guess, we are not currently checking if that is actually present.

Observed Tool Versions

Within GTN tutorials

0.10.1+galaxy4

EDAM Operations

operation_2422

EDAM Topics

Relevant Tutorials

Computational chemistry / Protein-ligand docking
Computational chemistry / Data management in Medicinal Chemistry
FAIR Data, Workflows, and Research / Data management in Medicinal Chemistry