%0 Journal Article %1 Dixon2006PHASE %A Dixon, Steven L. %A Smondyrev, Alexander M. %A Knoll, Eric H. %A Rao, Shashidhar N. %A Shaw, David E. %A Friesner, Richard A. %D 2006 %J Journal of Computer-Aided Molecular Design %K 3d-pharmacophore QSAR pharmacophore pharmacophore-elucidation pharmacophore-perception %N 10 %P 647--671 %R 10.1007/s10822-006-9087-6 %T PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results %U http://dx.doi.org/10.1007/s10822-006-9087-6 %V 20 %X 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.

@article{Dixon2006PHASE, 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.}, added-at = {2017-03-10T01:56:39.000+0100}, author = {Dixon, Steven L. and Smondyrev, Alexander M. and Knoll, Eric H. and Rao, Shashidhar N. and Shaw, David E. and Friesner, Richard A.}, biburl = {https://www.bibsonomy.org/bibtex/2394f72ba301a0e55191c2a71b9bed0d1/salotz}, description = {PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results | SpringerLink}, doi = {10.1007/s10822-006-9087-6}, interhash = {d589c9c9ab4fecd737025befb0d860cf}, intrahash = {394f72ba301a0e55191c2a71b9bed0d1}, issn = {1573-4951}, journal = {Journal of Computer-Aided Molecular Design}, keywords = {3d-pharmacophore QSAR pharmacophore pharmacophore-elucidation pharmacophore-perception}, number = 10, pages = {647--671}, timestamp = {2017-03-10T01:56:39.000+0100}, 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 }