QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

Computational Biology and Chemistry

Volumn 30, Issue 6, 2006, Pages 434-437

  Toropov, Andrey ^a   Nesmerak, Karel ^b   Raska Jr , Ivan ^b   Waisser, Karel ^c   Palat, Karel ^c  

^a S YU YUNUSOV INSTITUTE OF THE CHEMISTRY OF PLANT SUBSTANCES   (Uzbekistan)

^b CHARLES UNIVERSITY   (Czech Republic)

^c Charles University in Prague Faculty of Pharmacy   (Czech Republic)

Author keywords

Half wave potential of benzoxazines; Optimal descriptor; QSPR; SMILES

Indexed keywords

CHEMICAL ANALYSIS; COMPUTER SIMULATION; DERIVATIVES; MOLECULAR DYNAMICS; STRUCTURAL ANALYSIS;

BENZOXAZINES; HALF-WAVE POTENTIALS; OPTIMAL DESCRIPTORS;

NITROGEN COMPOUNDS;

BENZOXAZINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

BENZOXAZINES; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 33751218895     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2006.09.003     Document Type: Article

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