Literature DB >> 17124629

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.

Steven L Dixon1, Alexander M Smondyrev, Eric H Knoll, Shashidhar N Rao, David E Shaw, Richard A Friesner.   

Abstract

We introduce PHASE, a highly flexible system for common pharmacophore identification and assessment, 3D QSAR model development, and 3D database creation and searching. The primary workflows and tasks supported by PHASE are described, and details of the underlying scientific methodologies are provided. Using results from previously published investigations, PHASE is compared directly to other ligand-based software for its ability to identify target pharmacophores, rationalize structure-activity data, and predict activities of external compounds.

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Year:  2006        PMID： 17124629     DOI： 10.1007/s10822-006-9087-6

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  12 in total

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Journal:  J Comput Aided Mol Des       Date:  1989-09       Impact factor: 3.686

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Authors:  G Lauri; P A Bartlett
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Authors:  G Jones; P Willett; R C Glen
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Authors:  W J Suling; R C Reynolds; E W Barrow; L N Wilson; J R Piper; W W Barrow
Journal:  J Antimicrob Chemother       Date:  1998-12       Impact factor: 5.790
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