PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
Тип публикации: Journal Article
Дата публикации: 2006-11-24
SCImago Q2
WOS Q2
БС1
SJR: 0.614
CiteScore: 4.6
Impact factor: 3
ISSN: 0920654X, 15734951
PubMed ID:
17124629
Drug Discovery
Physical and Theoretical Chemistry
Computer Science Applications
Краткое описание
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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ГОСТ
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Dixon S. L. et al. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results // Journal of Computer-Aided Molecular Design. 2006. Vol. 20. No. 10-11. pp. 647-671.
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Dixon S. L., Smondyrev A. M., Knoll E. H., Rao S. N., Shaw D. E., Friesner R. A. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results // Journal of Computer-Aided Molecular Design. 2006. Vol. 20. No. 10-11. pp. 647-671.
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TY - JOUR
DO - 10.1007/s10822-006-9087-6
UR - https://doi.org/10.1007/s10822-006-9087-6
TI - PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
T2 - Journal of Computer-Aided Molecular Design
AU - Dixon, Steven L
AU - Smondyrev, Alexander M.
AU - Knoll, Eric H
AU - Rao, Shashidhar N.
AU - Shaw, David E.
AU - Friesner, Richard A.
PY - 2006
DA - 2006/11/24
PB - Springer Nature
SP - 647-671
IS - 10-11
VL - 20
PMID - 17124629
SN - 0920-654X
SN - 1573-4951
ER -
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@article{2006_Dixon,
author = {Steven L Dixon and Alexander M. Smondyrev and Eric H Knoll and Shashidhar N. Rao and David E. Shaw and Richard A. Friesner},
title = {PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results},
journal = {Journal of Computer-Aided Molecular Design},
year = {2006},
volume = {20},
publisher = {Springer Nature},
month = {nov},
url = {https://doi.org/10.1007/s10822-006-9087-6},
number = {10-11},
pages = {647--671},
doi = {10.1007/s10822-006-9087-6}
}
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MLA
Скопировать
Dixon, Steven L., et al. “PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.” Journal of Computer-Aided Molecular Design, vol. 20, no. 10-11, Nov. 2006, pp. 647-671. https://doi.org/10.1007/s10822-006-9087-6.
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