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Oct. 5, 2012, 12:35 p.m.

New Release: PharmBench v1.0

We are pleased to announce the release of a new community benchmark dataset for the evaluation of pharmacophore elucidation and molecular alignment approaches. The dataset consists of 81 targets, containing 960 ligands in total. The dataset is based on known pharmaceutically relevant co-crystallised protein ligand complexes, which were filtered to leave high-resolution structures containing drug-like small molecule ligands, aligned according to their target receptors.

The dataset can be found here.