Simultaneous determination of bioactive conformations and alignment rules by multi-way PLS modeling

Computational Biology and Chemistry

Volumn 27, Issue 3, 2003, Pages 211-216

  Hasegawa, Kiyoshi ^a   Arakawa, Masamoto ^b   Funatsu, Kimito ^b  

^a NIPPON ROCHE RESEARCH CENTER   (Japan)

^b TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

Author keywords

3D QSAR; Alignment rule; Bioactive conformation; CoMFA; Multi way PLS

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; LEAST SQUARES APPROXIMATIONS; MOLECULES;

BIOACTIVE CONFORMATIONS;

CONFORMATIONS;

BENZODIAZEPINE; BENZODIAZEPINE DERIVATIVE; CHOLECYSTOKININ B RECEPTOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; THEORETICAL MODEL;

ALGORITHMS; BENZODIAZEPINES; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, CHOLECYSTOKININ B;

EID: 0042229161     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(02)00055-4     Document Type: Article

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