Quantitative structure - Activity relationship studies for the binding affinities of imidazobenzodiazepines for the α6 benzodiazepine receptor isoform utilizing optimized blockwise variable combination by particle swarm optimization for partial least squares modeling

QSAR and Combinatorial Science

Volumn 26, Issue 1, 2007, Pages 92-101

  Hu, Leqian ^a   Wu, Hailong ^a   Lin, Weiqi ^a   Jiang, Jianhui ^a   Yu, Ruqin ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Imidazobenzodiazepines; Optimized blockwise variable combination; Particle swarm optimization; Quantitative structure activity relationship

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; HYDROGEN BONDS; LEAST SQUARES APPROXIMATIONS; PARTICLE SWARM OPTIMIZATION (PSO); STRUCTURAL OPTIMIZATION;

BENZODIAZEPINES; BINDING AFFINITIES; DESCRIPTORS; IMIDAZOBENZODIAZEPINE; ISOFORMS; OPTIMIZED BLOCK-WISE VARIABLE COMBINATIONS; PARTICLE SWARM; PARTICLE SWARM OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SWARM OPTIMIZATION;

MOLECULES;

ALPHA6 BENZODIAZEPINE RECEPTOR; BENZODIAZEPINE DERIVATIVE; BENZODIAZEPINE RECEPTOR; IMIDAZOBENZODIAZEPINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG BINDING; HYDROGEN BOND; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 33846828751     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200530204     Document Type: Article

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