A free energy approach to the prediction of olefin and epoxide mutagenicity and carcinogenicity

Chemical Research in Toxicology

Volumn 25, Issue 12, 2012, Pages 2780-2787

  Kostal, Jakub ^a   Voutchkova Kostal, Adelina ^b   Weeks, Brian ^a   Zimmerman, Julie B ^a   Anastas, Paul T ^a  

^a YALE UNIVERSITY   (United States)

^b GEORGE WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKENE; ALKENYL GROUP; ALKYL GROUP; EPOXIDE; HALOGEN;

AQUEOUS SOLUTION; ARTICLE; CARCINOGENICITY; CHEMICAL STRUCTURE; ENERGY; GAS; IN VIVO STUDY; MUTAGENICITY; PREDICTIVE VALUE; QUANTUM MECHANICS; RING OPENING; THERMODYNAMICS;

ALKENES; CARCINOGENS; EPOXY COMPOUNDS; HALOGENS; MODELS, BIOLOGICAL; MUTAGENS;

EID: 84871254253     PISSN: 0893228X     EISSN: 15205010     Source Type: Journal    
DOI: 10.1021/tx300402b     Document Type: Article

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