Development and validation of regression-based QSAR models for quantification of contributions of molecular fragments to skin sensitization potency of diverse organic chemicals

SAR and QSAR in Environmental Research

Volumn 24, Issue 12, 2013, Pages 1009-1023

  Nandy, A ^a   Kar, S ^a   Roy, K ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

LLNA test; OECD; QSAR; skin sensitization

Indexed keywords

AROMATIC COMPOUNDS; CARBONYL COMPOUNDS; CHEMICAL DETECTION; COMPUTATIONAL CHEMISTRY; INDICATORS (CHEMICAL); MOLECULAR GRAPHICS;

DESCRIPTORS; LLNA TEST; MOLECULAR FEATURE; MOLECULAR FRAGMENTS; OECD; PROPERTY; QSAR; QSAR MODEL; SENSITIZING POTENTIAL; SKIN SENSITIZATION;

ORGANIC CHEMICALS;

NITROGEN; ORGANIC COMPOUND;

ANIMAL; ARTICLE; CHEMISTRY; DRUG EFFECT; HUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; SKIN; SKIN ALLERGY; VALIDATION STUDY;

ANIMALS; DERMATITIS, ALLERGIC CONTACT; HUMANS; NITROGEN; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SKIN;

EID: 84890129166     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2013.821422     Document Type: Article

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