Comparative QSTR studies for predicting mutagenicity of nitro compounds

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 6, 2008, Pages 916-934

  Nair, Pramod C ^a   Sobhia, M Elizabeth ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

CoMFA; CoMSIA; GFA; HQSAR; Mutagenicity; Nitroarenes; QSTR

Indexed keywords

GENOTOXIC PROPERTIES; MOLECULAR FINGERPRINTS; NITRO COMPOUNDS; NITROARENES;

CARCINOGENS; MATHEMATICAL MODELS; MUTAGENESIS; ONCOLOGY; TOPOLOGY; TUMORS;

NITROGEN COMPOUNDS;

1 AMINO 8 NITROPYRENE; 1 CHLORO 2,4 DINITROBENZENE; 1 METHYL 6 NITROINDAZOLE; 1 NITROBENZO[A]PYRENE; 1 NITROCORONENE; 1 NITROFLUORANTHENE; 1 NITROPYRENE; 1,3,6,8 TETRANITROPYRENE; 2 ACETOXY 7 NITROFLUORENE; 2 CYANO 7 NITROFLUORENE; 2 FLUORO 7 NITROFLUORENE; 2 HYDROXY 7 NITROFLUORENE; 2 IODO 7 NITROFLUORENE; 2 METHYL 7 NITROFLUORENE; 2 NITRO 2 PHENYLENEDIAMINE; 2 NITROBENZ[I]ACENTHRYLENE; 2 NITROPHENANTHRENE; 2,4 DINITROFLUORANTHENE; 2,5 DIFLUORONITROBENZENE; 3 METHYL 4 NITROBIPHENYL; 3 NITRO 9 FLUORENONE; 3,4 DINITROFLUORANTHENE; 4,3' DINITROBIPHENYL; 5 NITROBENZIMIDAZOLE; 5 NITROQUINOLINE; 6 NITROQUINOLINE; 8 NITROQUINOLINE; AROMATIC NITRO COMPOUND; NITRO DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; CARCINOGENICITY; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; GENOTOXICITY; HYDROPHOBICITY; MOLECULAR MODEL; MUTAGENICITY; NONHUMAN; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE TOXICITY RELATION; THERMODYNAMICS;

HYDROPHOBICITY; MODELS, CHEMICAL; MOLECULAR STRUCTURE; MUTAGENICITY TESTS; NITRO COMPOUNDS; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 37349087826     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.06.006     Document Type: Article

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