Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones

SAR and QSAR in Environmental Research

Volumn 24, Issue 9, 2013, Pages 695-709

  Nelms, M D ^a   Cronin, M T D ^a   Schultz, T W ^b   Enoch, S J ^a  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

applicability domain; category formation; electrophilic reaction chemistry; in chemico; OECD QSAR Toolbox; structural alerts

Indexed keywords

BIOCHEMISTRY; COMPUTATIONAL CHEMISTRY; ESTERS; KETONES;

APPLICABILITY DOMAIN; CATEGORY FORMATION; ELECTROPHILIC REACTION; ELECTROPHILIC REACTION CHEMISTRY; EXPERIMENTAL VERIFICATION; IN CHEMICO; NITROSO; OECD QSAR TOOLBOX; REACTION CHEMISTRY; STRUCTURAL ALERT;

ALDEHYDES;

TETRAHYMENA PYRIFORMIS;

ALDEHYDE; EPOXIDE; GLUTATHIONE; KETONE; LACTONE; NITROSAMINE; NITROSO DERIVATIVE; ORGANIC COMPOUND; PROTOZOAL PROTEIN;

ARTICLE; CHEMISTRY; DRUG EFFECT; GROWTH, DEVELOPMENT AND AGING; METABOLISM; METHODOLOGY; PROTEIN BINDING; STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; TOXICOLOGY;

ALDEHYDES; EPOXY COMPOUNDS; GLUTATHIONE; KETONES; LACTONES; NITROSAMINES; NITROSO COMPOUNDS; ORGANIC CHEMICALS; PROTEIN BINDING; PROTOZOAN PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA PYRIFORMIS; TOXICOLOGY;

EID: 84882600458     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2013.792874     Document Type: Article

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