Pharmer: efficient and exact pharmacophore search.
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ABSTRACT:
SUBMITTER: Koes DR
PROVIDER: S-EPMC3124593 | biostudies-literature | 2011 Jun
REPOSITORIES: biostudies-literature
Publications
Pharmer: efficient and exact pharmacophore search.
Koes David Ryan DR Camacho Carlos J CJ
Journal of chemical information and modeling 20110602 6
Pharmacophore search is a key component of many drug discovery efforts. Pharmer is a new computational approach to pharmacophore search that scales with the breadth and complexity of the query, not the size of the compound library being screened. Two novel methods for organizing pharmacophore data, the Pharmer KDB-tree and Bloom fingerprints, enable Pharmer to perform an exact pharmacophore search of almost two million structures in less than a minute. In general, Pharmer is more than an order o ...[more]
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