Mechanism-Based QSAR Modeling of Skin Sensitization

Chemical Research in Toxicology

Volumn 28, Issue 10, 2015, Pages 1975-1986

  Dearden, J C ^a   Hewitt, M ^b   Roberts, D W ^a   Enoch, S J ^a   Rowe, P H ^a   Przybylak, K R ^a   Vaughan Williams, G D ^a   Smith, M L ^a   Pillai, G G ^c,d   Katritzky, A R ^c  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF WOLVERHAMPTON   (United Kingdom)

^c University of Florida ^*  (United States)

^d UNIVERSITY OF TARTU   (Estonia)

Author keywords

[No Author keywords available]

Indexed keywords

1,4 BENZOQUINONE; 2,3 BUTANEDIONE; 3 AMINOPHENOL; ANETHOLE; BENZOIC ACID DERIVATIVE; BENZYL BENZOATE; BENZYL BROMIDE; BENZYLIDENEACETONE; CAMPHORQUINONE; CINNAMALDEHYDE; CITRAL; DIETHYL SULFATE; DIMETHYL SULFATE; ESTRAGOLE; ETHYLNITROSOUREA; EUGENOL; FORMALDEHYDE; GERMALL 115; GLUTARALDEHYDE; GLYOXAL; HEXOBARBITAL; HYDROXYCITRONELLAL; ISOEUGENOL; MALEIC ACID DIETHYL ESTER; MESYLIC ACID METHYL ESTER; NITROBENZENE DERIVATIVE; PERILLALDEHYDE; SALICYLIC ACID BENZYL ESTER; THIRAM; TROPOLONE; ORGANIC COMPOUND;

ARTICLE; HYDROGEN BOND; HYDROPHOBICITY; MICHAEL ADDITION; MOLECULAR SIZE; NUCLEOPHILICITY; OXIDATION REDUCTION POTENTIAL; PREDICTION; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION ANALYSIS; SKIN SENSITIZATION; SURFACE AREA; ANIMAL; CHEMISTRY; DRUG EFFECTS; METABOLISM; SKIN; THEORETICAL MODEL;

ANIMALS; MODELS, THEORETICAL; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SKIN;

EID: 84944718971     PISSN: 0893228X     EISSN: 15205010     Source Type: Journal    
DOI: 10.1021/acs.chemrestox.5b00197     Document Type: Article

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