Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2006 Oct-Nov;20(10-11):647-71.
doi: 10.1007/s10822-006-9087-6. Epub 2006 Nov 24.

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

Steven L Dixon  1 , Alexander M Smondyrev, Eric H Knoll, Shashidhar N Rao, David E Shaw, Richard A Friesner
Affiliations

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

Steven L Dixon et al. J Comput Aided Mol Des. 2006 Oct-Nov.

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.

PubMed Disclaimer

Similar articles

See all similar articles

Cited by

See all "Cited by" articles

References

    1. J Chem Inf Comput Sci. 1996 May-Jun;36(3):563-71 - PubMed
    1. J Comput Aided Mol Des. 2002 Aug-Sep;16(8-9):653-81 - PubMed
    1. J Med Chem. 2002 Jan 3;45(1):41-53 - PubMed
    1. J Comput Aided Mol Des. 1995 Dec;9(6):532-49 - PubMed
    1. J Chem Inf Comput Sci. 1999 Sep-Oct;39(5):887-96 - PubMed

LinkOut - more resources