Global and local chemical reactivities of mutagen X and simple derivatives

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2573-2582

  Rincon, Elizabeth ^a   Zuloaga, Francisco ^a   Chamorro, Eduardo ^b  

^a UNIVERSIDAD AUSTRAL DE CHILE   (Chile)

^b Universidad Andres Bello   (Chile)

Author keywords

Conceptual DFT; Electrophilicity; Global and local indices; MX; TA100 assay

Indexed keywords

3 CHLORO 4 (DICHLOROMETHYL) 5 HYDROXY 2 (5H)FURANONE; CARBONYL DERIVATIVE; FURANONE DERIVATIVE; MUTAGENIC AGENT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTRON; ELECTROPHILICITY; ENVIRONMENT; MUTAGENIC ACTIVITY; NONHUMAN; PRIORITY JOURNAL; SALMONELLA TYPHIMURIUM; TAUTOMER;

ALGORITHMS; ANALYSIS OF VARIANCE; FURANS; MODELS, CHEMICAL; MUTAGENS; STATIC ELECTRICITY;

BACTERIA (MICROORGANISMS); SALMONELLA TYPHIMURIUM;

EID: 84878748149     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1799-7     Document Type: Article

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