{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T11:55:35Z","timestamp":1790078135181,"version":"4.0.1"},"reference-count":46,"publisher":"Elsevier BV","issue":"1","license":[{"start":{"date-parts":[[2011,2,1]],"date-time":"2011-02-01T00:00:00Z","timestamp":1296518400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Toxicology in Vitro"],"published-print":{"date-parts":[[2011,2]]},"DOI":"10.1016\/j.tiv.2010.09.017","type":"journal-article","created":{"date-parts":[[2010,10,7]],"date-time":"2010-10-07T08:21:45Z","timestamp":1286439705000},"page":"324-334","source":"Crossref","is-referenced-by-count":32,"title":["Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy"],"prefix":"10.1016","volume":"25","author":[{"given":"Stephanie","family":"Ringeissen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Laurent","family":"Marrot","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Reine","family":"Note","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anita","family":"Labarussiat","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"St\u00e9phane","family":"Imbert","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Milen","family":"Todorov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ovanes","family":"Mekenyan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean-Roch","family":"Meunier","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.tiv.2010.09.017_b0005","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1177\/026119290403200506","article-title":"Structure\u2013activity relationships and prediction of the phototoxicity and phototoxic potential of new drugs","volume":"32","author":"Barratt","year":"2004","journal-title":"Altern. Lab. Anim.: ATLA"},{"key":"10.1016\/j.tiv.2010.09.017_b0010","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1016\/S0731-7085(98)90308-9","article-title":"Stability indicating assays for the determination of piroxicam \u2013 comparison of methods","volume":"20","author":"Bartsch","year":"1999","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.tiv.2010.09.017_b0015","unstructured":"Commission Directive 67\/548\/EEC: 3T3 NRU Phototoxicity Test Regulation: Included into Annex V of Council Directive 67\/548\/EEC part B.41 on Phototoxicity in April 2000; and OECD Test Guideline 432, Adopted April 2004."},{"key":"10.1016\/j.tiv.2010.09.017_b0020","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1021\/ci0500381","article-title":"A stepwise approach for defining the applicability domain of SAR and QSAR models","volume":"45","author":"Dimitrov","year":"2005","journal-title":"J. Chem. Inf. Model"},{"key":"10.1016\/j.tiv.2010.09.017_b0025","doi-asserted-by":"crossref","first-page":"262","DOI":"10.1034\/j.1600-0781.2002.02778.x","article-title":"Photosensitivity due to drugs","volume":"18","author":"Ferguson","year":"2002","journal-title":"Photodermatol. Photo."},{"key":"10.1016\/j.tiv.2010.09.017_b0030","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S1383-5718(02)00283-8","article-title":"Phototoxicity and photogenotoxicity of nine pyridone derivatives","volume":"535","author":"Gocke","year":"2003","journal-title":"Mutat. Res."},{"key":"10.1016\/j.tiv.2010.09.017_b0035","doi-asserted-by":"crossref","first-page":"694","DOI":"10.1002\/qsar.200610151","article-title":"Principles of QSAR model validation: internal and external","volume":"26","author":"Gramatica","year":"2007","journal-title":"QSAR Comb. Sci."},{"key":"10.1016\/j.tiv.2010.09.017_b0040","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1248\/yakushi.125.255","article-title":"New findings on the structure\u2013phototoxicity relationship and photostability of fluoroquinolones","volume":"125","author":"Hayashi","year":"2005","journal-title":"Yakugaku Zasshi \u2013 J. Pharm. Soc. Jpn."},{"key":"10.1016\/j.tiv.2010.09.017_b0045","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1002\/jat.1146","article-title":"A future approach to measuring relative skin sensitising potency: a proposal","volume":"26","author":"Jowsey","year":"2006","journal-title":"J. Appl. Toxicol."},{"key":"10.1016\/j.tiv.2010.09.017_b0050","series-title":"Photoimmunology","first-page":"19","article-title":"Photoimmunology: primary processes in photobiology and photosensitization","author":"Kochevar","year":"1995"},{"key":"10.1016\/j.tiv.2010.09.017_b0055","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1248\/cpb.43.537","article-title":"Structure\u2013activity relationships of phenyl- and benzoylpyrroles","volume":"43","author":"Laatsch","year":"1995","journal-title":"Chem. Pharm. Bull. Tokyo"},{"key":"10.1016\/j.tiv.2010.09.017_b0060","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1897\/06-295R.1","article-title":"A predictive quantitative structure\u2013activity relationship model for the photoinduced toxicity of polycyclic aromatic hydrocarbons to Daphnia magna with the use of factors for photosensitization and photomodification","volume":"26","author":"Lampi","year":"2007","journal-title":"Environ. Toxicol. Chem."},{"key":"10.1016\/j.tiv.2010.09.017_b0065","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1080\/15376510701857320","article-title":"In silico tools for sharing data and knowledge on toxicity and metabolism: Derek for windows, meteor, and vitic","volume":"18","author":"Marchant","year":"2008","journal-title":"Toxicol. Mech. Meth."},{"key":"10.1016\/j.tiv.2010.09.017_b0070","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1111\/j.1751-1097.1992.tb02191.x","article-title":"Structure\u2013activity studies of photoactivated antiviral and cytotoxic tricyclic thiophenes","volume":"56","author":"Marles","year":"1992","journal-title":"Photochem. Photobiol."},{"key":"10.1016\/j.tiv.2010.09.017_b0075","doi-asserted-by":"crossref","first-page":"1040","DOI":"10.1016\/j.tiv.2006.01.008","article-title":"Use of the yeast Saccharomyces cerevisiae as a pre-screening approach for assessment of chemical-induced phototoxicity","volume":"20","author":"Marrot","year":"2006","journal-title":"Toxicol. In Vitro"},{"key":"10.1016\/j.tiv.2010.09.017_b0080","series-title":"Hit and Lead Profiling","first-page":"471","article-title":"In vitro phototoxicity testing: a procedure involving multiple endpoints","author":"Marrot","year":"2009"},{"key":"10.1016\/j.tiv.2010.09.017_b0085","doi-asserted-by":"crossref","first-page":"1859","DOI":"10.1345\/aph.1K347","article-title":"Safety concerns with fluoroquinolones","volume":"41","author":"Mehlhorn","year":"2007","journal-title":"Ann. Pharmacother."},{"issue":"3","key":"10.1016\/j.tiv.2010.09.017_b0090","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1016\/0045-6535(94)90299-2","article-title":"QSARs for photoinduced toxicity: I acute lethality of polyaromatic hydrocarbons to Daphnia magna","volume":"28","author":"Mekenyan","year":"1994","journal-title":"Chemosphere"},{"key":"10.1016\/j.tiv.2010.09.017_b0230","doi-asserted-by":"crossref","first-page":"3702","DOI":"10.1021\/es970451s","article-title":"A computationally-based hazard identification algorithm that incorporates ligand flexibility. 1. Identification of potential androgen receptor ligands","volume":"31","author":"Mekenyan","year":"1997","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.tiv.2010.09.017_b0095","doi-asserted-by":"crossref","first-page":"997","DOI":"10.1021\/ci990303g","article-title":"Conformational coverage by a genetic algorithm","volume":"39","author":"Mekenyan","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"10.1016\/j.tiv.2010.09.017_b0100","doi-asserted-by":"crossref","first-page":"640","DOI":"10.1016\/j.chemosphere.2005.03.029","article-title":"Estimating octanol-air partition coefficients with octanol\u2013water partition coefficients and Henry\u2019s law constants","volume":"61","author":"Meylan","year":"2005","journal-title":"Chemosphere"},{"key":"10.1016\/j.tiv.2010.09.017_b0105","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/S0027-5107(98)00189-4","article-title":"Mechanisms of photosensitization by phototoxic drugs","volume":"422","author":"Moore","year":"1998","journal-title":"Mutat. Res."},{"key":"10.1016\/j.tiv.2010.09.017_b0110","doi-asserted-by":"crossref","first-page":"345","DOI":"10.2165\/00002018-200225050-00004","article-title":"Drug-induced cutaneous photosensitivity: incidence, mechanism, prevention and management","volume":"25","author":"Moore","year":"2002","journal-title":"Drug Saf."},{"key":"10.1016\/j.tiv.2010.09.017_b0115","doi-asserted-by":"crossref","first-page":"106","DOI":"10.1093\/toxsci\/kfn204","article-title":"Filling the concept with data: integrating data from different in vitro and in silico assays on skin sensitizers to explore the battery approach for animal-free skin sensitization testing","volume":"107","author":"Natsch","year":"2009","journal-title":"Toxicol. Sci."},{"key":"10.1016\/j.tiv.2010.09.017_b0120","unstructured":"NCCT ToxCast, 2010. Predicting Hazard, Characterizing Toxicity Pathways and Prioritizing the Toxicity Testing of Environmental Chemicals. Available at: <http:\/\/www.epa.gov\/ncct\/toxcast\/> (accessed 14.06.10)."},{"key":"10.1016\/j.tiv.2010.09.017_b0125","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.jphotobiol.2004.11.014","article-title":"Evaluation of phototoxic and photoallergic potentials of 13 compounds by different in vitro and in vivo methods","author":"Neumann","year":"2005","journal-title":"J. Photochem. Photobiol. B"},{"key":"10.1016\/j.tiv.2010.09.017_b0130","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1002\/etc.5620060605","article-title":"Predictive models for photoinduced acute toxicity of polycyclic aromatic hydrocarbons to Daphnia Magna, Strauss, Cladocera, Crustacea","volume":"6","author":"Newsted","year":"1987","journal-title":"Environ. Toxicol. Chem."},{"key":"10.1016\/j.tiv.2010.09.017_b0135","series-title":"In vitro 3T3 NRU Phototoxicity. Guideline TG 432. Revised and Approved by the National Coordibnators in May 2002, Approved by Council April 2004","author":"OECD","year":"2004"},{"key":"10.1016\/j.tiv.2010.09.017_b0140","series-title":"Guidance Document on the Validation of (Quantitative) Structure Activity Relationship [(Q)SAR] Models. ENV\/JM\/MONO(2007)2","author":"OECD","year":"2007"},{"key":"10.1016\/j.tiv.2010.09.017_b0145","unstructured":"OECD (Q)SARs projects, 2010. Available at: <http:\/\/www.oecd.org\/document\/23\/0,3343,en_2649_34379_33957015_1_1_1_1,00.html> (accessed 14.06.10)."},{"key":"10.1016\/j.tiv.2010.09.017_b0150","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1007\/s11095-005-8497-9","article-title":"Analytical studies on the prediction of photosensitive\/phototoxic potential of pharmaceutical substances","volume":"23","author":"Onoue","year":"2006","journal-title":"Pharm. Res."},{"key":"10.1016\/j.tiv.2010.09.017_b0155","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.jpba.2007.09.003","article-title":"High-throughput reactive oxygen species (ROS) assay: an enabling technology for screening the phototoxic potential of pharmaceutical substances","volume":"46","author":"Onoue","year":"2008","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.tiv.2010.09.017_b0160","unstructured":"OSIRIS, 2010. Optimized Strategies for Risk Assessment of Industrial Chemicals through Integration of Non-Test and Test Information. Available at: <http:\/\/www.osiris.ufz.de\/> (accessed 14.06.10)."},{"issue":"5","key":"10.1016\/j.tiv.2010.09.017_b0165","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1021\/ar00029a005","article-title":"Absolute hardness: unifying concept for identifying shells and subshells in nuclei, atoms, molecules, and metallic clusters","volume":"26","author":"Parr","year":"1993","journal-title":"Acc. Chem. Res."},{"key":"10.1016\/j.tiv.2010.09.017_b0170","doi-asserted-by":"crossref","first-page":"851","DOI":"10.1021\/ci700014h","article-title":"Conformational coverage by a genetic algorithm: saturation of conformational space","volume":"47","author":"Pavlov","year":"2007","journal-title":"J. Chem. Inf. Model"},{"key":"10.1016\/j.tiv.2010.09.017_b0175","unstructured":"Pelletier, D., Greene, N., 2007. Evaluation of phototoxicity alerts in Derek and use of a fingerprint-based decision tree approach to identify potential novel alerts. In: Oxford University Press (Eds.), The Toxicologist, Supplement to Toxicol. Sci. Proceedings of the 46th Annual Meeting and ToxExpo\u2122, vol. 96, p. 223."},{"key":"10.1016\/j.tiv.2010.09.017_b0180","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1016\/j.theochem.2005.01.026","article-title":"QSAR model of the phototoxicity of polycyclic aromatic hydrocarbons","volume":"719","author":"Ribeiro","year":"2005","journal-title":"J. Mol. Struct.: Theochem."},{"key":"10.1016\/j.tiv.2010.09.017_b0185","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1093\/jac\/dkh503","article-title":"In vitro activity of bergamot natural essence and furocoumarin-free and distilled extracts, and their associations with boric acid, against clinical yeast isolates","volume":"55","author":"Romano","year":"2005","journal-title":"J. Antimicrobiol. Chemother."},{"key":"10.1016\/j.tiv.2010.09.017_b0190","doi-asserted-by":"crossref","first-page":"314","DOI":"10.1177\/026119299402200503","article-title":"In vitro phototoxicity testing \u2013 the report and recommendations of ECVAM workshop 2","volume":"22","author":"Spielmann","year":"1994","journal-title":"Altern. Lab. Anim.: ATLA"},{"key":"10.1016\/j.tiv.2010.09.017_b0195","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/S0887-2333(98)00006-X","article-title":"The international EU\/COLIPA in vitro phototoxicity validation study: results of phase II (blind trial) part 1: the 3T3 NRU phototoxicity test","author":"Spielmann","year":"1998","journal-title":"Toxicol. In Vitro"},{"key":"10.1016\/j.tiv.2010.09.017_b0200","doi-asserted-by":"crossref","first-page":"679","DOI":"10.1177\/026119299802600511","article-title":"A study on UV filter chemicals from annex VII of European Union Directive 76\/768\/EEC, in the in vitro 3T3 NRU phototoxicity test","volume":"26","author":"Spielmann","year":"1998","journal-title":"Altern. Lab. Anim.: ATLA"},{"key":"10.1016\/j.tiv.2010.09.017_b0205","doi-asserted-by":"crossref","first-page":"2759","DOI":"10.1002\/1097-0142(19940601)73:11<2759::AID-CNCR2820731118>3.0.CO;2-C","article-title":"The carcinogenic risk of treatment for severe psoriasis","volume":"73","author":"Stern","year":"1994","journal-title":"Cancer"},{"key":"10.1016\/j.tiv.2010.09.017_b0210","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/BF00128336","article-title":"MOPAC: a semiempirical molecular orbital program","volume":"4","author":"Stewart","year":"1990","journal-title":"J. Comput. Aided Mol. Des."},{"key":"10.1016\/j.tiv.2010.09.017_b0215","unstructured":"Stewart, J.J., 1993. MOPAC 93. Fujitsu Limited, Chiba-City, Japan, and Stewart Computational Chemistry, Colorado Springs, CO."},{"key":"10.1016\/j.tiv.2010.09.017_b0220","doi-asserted-by":"crossref","first-page":"2129","DOI":"10.1016\/0045-6535(95)00076-K","article-title":"A QSAR analysis of substituent effects on the photoinduced acute toxicity of PAHs","volume":"30","author":"Veith","year":"1995","journal-title":"Chemosphere"},{"key":"10.1016\/j.tiv.2010.09.017_b0225","first-page":"381","article-title":"Phototoxicity of quinine derivatives. Structure\u2013activity trends","volume":"68","author":"Waddell","year":"1997","journal-title":"Fitoterapia"}],"container-title":["Toxicology in Vitro"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0887233310002584?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0887233310002584?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2021,11,11]],"date-time":"2021-11-11T12:01:52Z","timestamp":1636632112000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0887233310002584"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,2]]},"references-count":46,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2011,2]]}},"alternative-id":["S0887233310002584"],"URL":"https:\/\/doi.org\/10.1016\/j.tiv.2010.09.017","relation":{},"ISSN":["0887-2333"],"issn-type":[{"value":"0887-2333","type":"print"}],"subject":[],"published":{"date-parts":[[2011,2]]}}}