Development and prevalidation of a list of structure-activity relationship rules to be used in expert systems for prediction of the skin-sensitising properties of chemicals

Alternatives to Laboratory Animals

Volumn 32, Issue 5, 2004, Pages 487-509

  Gerner, Ingrid ^a   Barratt, Martin D ^b   Zinke, Stephan ^a   Schlegel, Kerstin ^a   Schlede, Eva ^a  

^a FEDERAL INSTITUTE FOR RISK ASSESSMENT   (Germany)

^b Marlin Consultancy   (United Kingdom)

Author keywords

(Q)SAR models; Computerised expert systems; Domain of applicability of (Q)SAR models; SAR prediction rules; Skin sensitisation potential; Structural alerts

Indexed keywords

ACID ANHYDRIDE; ACID HALIDE; ALDEHYDE; ALKANE DERIVATIVE; ALPHA LACTAM DERIVATIVE; AROMATIC COMPOUND; BENZOTHIAZOLINE DERIVATIVE; CARBONYL DERIVATIVE; CHEMICAL COMPOUND; EPOXIDE; HALIDE; HALOCARBON; HETEROCYCLIC NITRO COMPOUND; HYDRAZINE DERIVATIVE; IMIDE; ISOTHIOCYANIC ACID DERIVATIVE; LACTAM DERIVATIVE; NITROBENZENE DERIVATIVE; QUINONE DERIVATIVE; SULFINIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

BIOTRANSFORMATION; CELL CONTACT; CLASSIFICATION; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER SYSTEM; DATA BASE; EUROPEAN UNION; EXPERT SYSTEM; GOVERNMENT REGULATION; MASS; ORGANIZATION; PARTITION COEFFICIENT; POLICY; PRACTICE GUIDELINE; PRIORITY JOURNAL; PROCESS DEVELOPMENT; PROTEIN INTERACTION; PUBLICATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; RISK ASSESSMENT; SKIN IRRITATION; SKIN SENSITIZATION; SOLUBILITY; STANDARDIZATION; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

EID: 12344304313     PISSN: 02611929     EISSN: None     Source Type: Journal    
DOI: 10.1177/026119290403200505     Document Type: Review

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