Three-dimensional quantitative structure-activity relationship study for phenylsulfonyl carboxylates using CoMFA and CoMSIA

Chemosphere

Volumn 53, Issue 8, 2003, Pages 945-952

  Liu, Xinhui ^a   Yang, Zhifeng ^a   Wang, Liansheng ^b  

^a BEIJING NORMAL UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

3D QSAR; CoMFA; CoMSIA; Phenylsulfonyl carboxylate; Photobacterium phosphoreum

Indexed keywords

BACTERIA; CORRELATION METHODS; MAPS;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA);

CARBOXYLATION;

CARBOXYLIC ACID DERIVATIVE; PHENYL GROUP; SULFONE DERIVATIVE; SULFONE;

MOLECULAR ANALYSIS;

ACUTE TOXICITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONCENTRATION RESPONSE; CONTROLLED STUDY; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; ELECTRIC FIELD; ELECTRICITY; INFORMATION PROCESSING; INTERMETHOD COMPARISON; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; NONHUMAN; PHOTOBACTERIUM PHOSPHOREUM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL SIGNIFICANCE; STEREOCHEMISTRY; VALIDATION PROCESS; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; METABOLISM; PHOTOBACTERIUM; TOXICITY TESTING; WATER POLLUTANT;

PHOTOBACTERIUM; PHOTOBACTERIUM PHOSPHOREUM;

ACUTE TOXICITY TESTS; MODELS, CHEMICAL; PHOTOBACTERIUM; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SULFONES; WATER POLLUTANTS, CHEMICAL;

EID: 0642310150     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(03)00574-5     Document Type: Article

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