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

by: Steven Dixon, Alexander Smondyrev, Eric Knoll, Shashidhar Rao, David Shaw, Richard Friesner
Journal of Computer-Aided Molecular Design, Vol. 20, No. 10. (1 October 2006), pp. 647-671.

X Abstract

Summary  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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This article has been bookmarked 2 times, initially on 2006-12-08.

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