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

Volumn 20, Issue 10-11, 2006, Pages 647-671

  Dixon, Steven L ^a   Smondyrev, Alexander M ^a   Knoll, Eric H ^a,b   Rao, Shashidhar N ^a   Shaw, David E ^a,c   Friesner, Richard A ^a,b  

^a SCHRÖDINGER INC   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c D E SHAW RESEARCH   (United States)

Author keywords

3D databases; 3D QSAR; Ligand based design; Pharmacophore perception

Indexed keywords

COMPUTATIONAL CHEMISTRY; DATABASE SYSTEMS; MOLECULAR GRAPHICS; PHARMACODYNAMICS; SEARCH ENGINES;

3D DATABASE; 3D-QSAR; DATABASE SCREENINGS; DATABASE SEARCHING; HIGHLY FLEXIBLE SYSTEMS; LIGAND-BASED DESIGN; MODEL DEVELOPMENT; PHARMACOPHORE PERCEPTION; PHARMACOPHORES; QSAR MODEL;

LIGANDS;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; DATA BASE; DRUG DESIGN; HYPOTHESIS; INFORMATION PROCESSING; LIGAND BINDING; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 33845868822     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-006-9087-6     Document Type: Article

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