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

@article{Dixon2006, 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.}, author = {Dixon, Steven and Smondyrev, Alexander and Knoll, Eric and Rao, Shashidhar and Shaw, David and Friesner, Richard}, citeulike-article-id = {984502}, citeulike-linkout-0 = {http://dx.doi.org/10.1007/s10822-006-9087-6}, citeulike-linkout-1 = {http://www.springerlink.com/content/n812166552w35468}, doi = {10.1007/s10822-006-9087-6}, journal = {Journal of Computer-Aided Molecular Design}, keywords = {docking}, month = {October}, number = {10}, pages = {647--671}, posted-at = {2009-07-02 17:06:33}, priority = {2}, title = {PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results}, url = {http://dx.doi.org/10.1007/s10822-006-9087-6}, volume = {20}, year = {2006} }

TY - JOUR ID - Dixon2006 L3 - citeulike-article-id:984502 N2 - 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. IS - 10 JF - Journal of Computer-Aided Molecular Design EP - 671 TI - PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results VL - 20 SP - 647 KW - docking AU - Dixon, Steven AU - Smondyrev, Alexander AU - Knoll, Eric AU - Rao, Shashidhar AU - Shaw, David AU - Friesner, Richard PY - 2006/10/01/ UR - http://dx.doi.org/10.1007/s10822-006-9087-6 ER -