Abstract：
: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 of magnitude faster than existing technologies. The complete source code is available under an open-source license at http://pharmer.sourceforge.net .
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Koes DR,Camacho CJdoi
10.1021/ci200097msubject
Has Abstractpub_date
2011-06-27 00:00:00pages
1307-14issue
6eissn
1549-9596issn
1549-960Xjournal_volume
51pub_type
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