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

@article{Dixon2006PHASEAN,
  title={PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results},
  author={Steven L. Dixon and Alexander M. Smondyrev and Eric H. Knoll and Shashidhar N. Rao and David E. Shaw and Richard A. Friesner},
  journal={Journal of computer-aided molecular design},
  year={2006},
  volume={20 10-11},
  pages={
          647-71
        }
}
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… CONTINUE READING
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