Group-based QSAR (G-QSAR): Mitigating interpretation challenges in QSAR

QSAR and Combinatorial Science

Volumn 28, Issue 1, 2009, Pages 36-51

  Ajmani, Subhash ^a   Jadhav, Kamalakar ^a   Kulkarni, Sudhir A ^a  

^a VLife Sciences Technologies   (India)

Author keywords

G QSAR; Interaction descriptors; Molecular design; Molecular fragmentation; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY;

DESCRIPTORS; DRUG DISCOVERY; GROUP-BASED; GROUP-BASED QSAR; INTERACTION DESCRIPTOR; INTERPRETATION OF MODELS; MOLECULAR DESIGN; MOLECULAR FRAGMENTATION; QSAR; SIMPLE++;

MOLECULES;

AMIDE; ANTIFUNGAL AGENT; CHEMOKINE RECEPTOR CCR5; QUINAZOLINONE DERIVATIVE; UREA DERIVATIVE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPUTER PROGRAM; DRUG DESIGN; DRUG RESEARCH; GENETIC ALGORITHM; INTERMETHOD COMPARISON; K NEAREST NEIGHBOR; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING;

EID: 66149095480     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200810063     Document Type: Article

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