Application of PCA and HCA to the structure-activity relationship study of fluoroquinolones

Chinese Journal of Chemical Physics

Volumn 19, Issue 2, 2006, Pages 143-148

  Li, Xiao Hong ^a   Zhang, Xian Zhou ^b   Cheng, Xin Lu ^a   Yang, Xiang Dong ^a   Zhu, Zun Lue ^b  

^a SICHUAN UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Hierarchical cluster analysis; Principal component analysis; Structure activity relationship

Indexed keywords

HIERARCHICAL CLUSTERING; HIERARCHICAL SYSTEMS; PRINCIPAL COMPONENT ANALYSIS; STRUCTURES (BUILT OBJECTS);

ACTIVE MOLECULES; CHEMOMETRICES; FLUOROQUINOLONES; MOLECULAR DESCRIPTORS; STRUCTURE ACTIVITY RELATIONSHIPS; SYNTHETIC COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 33745742263     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1360/cjcp2006.19(2).143.6     Document Type: Article

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