Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons

Journal of Computational Chemistry

Volumn 29, Issue 11, 2008, Pages 1808-1817

  Vuayalakshmi, K Periya ^a   Suresh, Cherumuttathu H ^a  

^a REGIONAL RESEARCH LABORATORY CSIR   (India)

Author keywords

Bay region theory; Carcinogenesis; DFT; K, L region theory; Molecular electrostatic potential; Polycyclic aromatic hydrocarbons

Indexed keywords

AROMATIC COMPOUNDS; HYDROCARBONS; MOLECULAR GRAPHICS; MOLECULAR INTERACTIONS; MOLECULES; ORGANIC COMPOUNDS; POLYCYCLIC AROMATIC HYDROCARBONS; SET THEORY; SULFUR COMPOUNDS;

CARCINOGENIC ACTIVITY; ELECTRON DENSITIES; MOLECULAR ELECTROSTATIC POTENTIAL (MESP); POLYCYCLIC AROMATIC HYDROCARBONS (PAHS); QSAR MODELING; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAS); TWO TYPES;

AROMATIC HYDROCARBONS;

CARCINOGEN; POLYCYCLIC HYDROCARBON;

ARTICLE; CARCINOGEN TESTING; CHEMISTRY; ELECTRICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CARCINOGENICITY TESTS; CARCINOGENS; ELECTROSTATICS; POLYCYCLIC COMPOUNDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 47149087164     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20939     Document Type: Article

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