Effect of steric molecular field settings on CoMFA predictivity

Journal of Molecular Modeling

Volumn 14, Issue 1, 2008, Pages 59-67

  Mittal, Ruchi R ^a   McKinnon, Ross A ^a   Sorich, Michael J ^a  

^a UNIVERSITY OF SOUTH AUSTRALIA   (Australia)

Author keywords

3D QSAR; COMFA; CoMSIA; Molecular shape; Steric molecular field

Indexed keywords

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONTROLLED STUDY; DATA BASE; MOLECULAR MODEL; NORMAL DISTRIBUTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY; VALIDATION PROCESS;

CLUSTER ANALYSIS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 37049023692     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0252-1     Document Type: Article

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