Quantitative structure - Activity relationship study on a series of novel ligands binding to central benzodiazepine receptor by using the combination of heuristic method and support vector machines

QSAR and Combinatorial Science

Volumn 26, Issue 4, 2007, Pages 443-451

  Qin, Shen ^a   Liu, Huanxiang ^a   Wang, Jie ^a   Yao, Xiaojun ^a   Liu, Mancang ^a   Hu, Zhide ^a   Fan, Botao ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DIDEROT   (France)

Author keywords

Benzodiazepine receptor; QSAR; Support vector machines

Indexed keywords

COMPUTATIONAL CHEMISTRY; LIGANDS; MOLECULAR GRAPHICS; SUPPORT VECTOR MACHINES;

BENZODIAZEPINE RECEPTOR; BENZODIAZEPINES; HETEROARYLS; HIGH AFFINITY; LIGAND BINDING; MOLECULAR DESCRIPTORS; NOVEL LIGANDS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; SUPPORT VECTORS MACHINE;

HEURISTIC METHODS;

2 ARYL(HETEROARYL) 2,5 DIHYDROPYRAZOLO [4,3 C] QUINOLIN 3(3H) ONE DERIVATIVE; BENZODIAZEPINE RECEPTOR; QUINOLINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 34250616008     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200630059     Document Type: Article

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