Use of the R-group descriptor for alignment-free QSAR

QSAR and Combinatorial Science

Volumn 24, Issue 5, 2005, Pages 611-619

  Hirons, Linda ^a   Holliday, John D ^a   Jelfs, Stephen P ^a   Willett, Peter ^a   Gedeck, Peter ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b NOVARTIS HORSHAM RESEARCH CENTRE   (United Kingdom)

Author keywords

Alignment free; Molecular descriptor; R group descriptor; Substituent

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

ALIGNMENT-FREE; ATOMIC CHARGE; DESCRIPTORS; MOLECULAR DESCRIPTORS; PARTIAL LEAST-SQUARES; PROPERTY; QSAR MODEL; R-GROUP DESCRIPTOR; RING SYSTEMS; SUBSTITUENT;

LEAST SQUARES APPROXIMATIONS;

ARTICLE; BINDING COMPETITION; DRUG ACTIVITY; HUMAN; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; R GROUP DESCRIPTOR; REGRESSION ANALYSIS; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS; SUBSTITUTION THERAPY;

EID: 23044431706     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200510102     Document Type: Article

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