A comparison of different electrostatic potentials on prediction accuracy in CoMFA and CoMSIA studies

European Journal of Medicinal Chemistry

Volumn 45, Issue 4, 2010, Pages 1544-1551

  Tsai, Keng Chang ^a   Chen, Yu Chen ^b   Hsiao, Nai Wan ^c   Wang, Chao Li ^c   Lin, Chih Lung ^c   Lee, Yu Ching ^a   Li, Minyong ^d   Wang, Binghe ^e  

^a GENOMICS RESEARCH CENTER   (Taiwan)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c NATIONAL CHANGHUA UNIVERSITY OF EDUCATION   (Taiwan)

^d SHANDONG UNIVERSITY   (China)

^e GEORGIA STATE UNIVERSITY   (United States)

Author keywords

3D QSAR; AM1 BCC; CoMFA; CoMSIA; Electrostatic potentials

Indexed keywords

ACCURACY; ARTICLE; ATOM; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; ELECTRIC POTENTIAL; INTERMETHOD COMPARISON; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCORING SYSTEM;

MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 77349088235     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.12.063     Document Type: Article

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