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Efficient and Exact Pharmacophore Search

A pharmacophore for Heat Shock Protein 90. Pharmer recovers 11 active compounds from a 1.8 million conformer library generated from the MUV HSP90 dataset in about 30 seconds.
Pharmer is a pharmacophore search technology that can search millions of chemical structures in seconds. Unlike other technologies, the performance of Pharmer scales with the complexity of the query, not the size of the library being searched.

Pharmer powers ZINCPharmer, an online pharmacophore search engine for a multi-conformer library of the ZINC database.

Pharmer was developed by David Koes from the Camacho Lab in the Department of Computational and System Biology at the University of Pittsburgh. The complete source code is available at SourceForge.

For more information, please read Pharmer: Efficient and Exact Pharmacophore Search (J. Chem. Inf. Model.).

Copyright 2011 Camacho Lab