Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy

Toxicology in Vitro

Volumn 25, Issue 1, 2011, Pages 324-334

  Ringeissen, Stephanie ^a   Marrot, Laurent ^a   Note, Reine ^a   Labarussiat, Anita ^a   Imbert, Stéphane ^a   Todorov, Milen ^b   Mekenyan, Ovanes ^b   Meunier, Jean Roch ^a  

^a L ORÉAL RECHERCHE   (France)

^b Laboratory of Mathematical Chemistry   (Bulgaria)

Author keywords

In silico prediction; Mechanistic (Q)SAR model; Phototoxicity; ROS production; Virtual screening

Indexed keywords

2,3 UNSATURATED ALDEHYDE; ACRIDINE DERIVATIVE; ALDEHYDE; AROMATIC AMINE; AROMATIC NITRO COMPOUND; ARYLSULFONAMIDE; COUMARIN; DEMECLOCYCLINE; DIARYL KETONE; FLAVONOID; FUROCOUMARIN; KETOPROFEN; MOXIFLOXACIN; NEUTRAL RED; NORFLOXACIN; PENICILLIN G; PHENOTHIAZINE; POLYCYCLIC AROMATIC HYDROCARBON; PROTOPORPHYRIN; PYRIDONE DERIVATIVE; QUINONE DERIVATIVE; REACTIVE OXYGEN METABOLITE; ROSE BENGAL; SALICYLIC ACID DERIVATIVE; SALICYLIC ACID OCTYL ESTER; SULFONAMIDE; TETRACYCLINE; THIOUREA; TIAPROFENIC ACID; UNCLASSIFIED DRUG; UNINDEXED DRUG;

AROMATICITY; ARTICLE; CELL STRAIN 3T3; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CLASSIFICATION; CONTROLLED STUDY; ENERGY GAP; IN VITRO STUDY; MODEL; MOLECULAR ORBITAL; PHOTOACTIVATION; PHOTODEGRADATION; PHOTOTOXICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANIMAL TESTING ALTERNATIVES; ANIMALS; ARTIFICIAL INTELLIGENCE; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DERMATITIS, PHOTOTOXIC; DRUG EVALUATION, PRECLINICAL; ELECTROCHEMICAL TECHNIQUES; EXPERT SYSTEMS; HUMANS; OXIDANTS, PHOTOCHEMICAL; PHOTOLYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REACTIVE OXYGEN SPECIES; SOFTWARE; TOXICITY TESTS;

EID: 78650522424     PISSN: 08872333     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tiv.2010.09.017     Document Type: Article

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