{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,13]],"date-time":"2026-07-13T13:10:20Z","timestamp":1783948220248,"version":"3.55.0"},"reference-count":66,"publisher":"American Chemical Society (ACS)","issue":"13","license":[{"start":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T00:00:00Z","timestamp":1782777600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006072","name":"Commissariat G?n?ral ? l'Investissement","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006072","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR 11 IDEX 05 02"],"award-info":[{"award-number":["ANR 11 IDEX 05 02"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR 11 LABX 086"],"award-info":[{"award-number":["ANR 11 LABX 086"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR-18-IDEX-0001"],"award-info":[{"award-number":["ANR-18-IDEX-0001"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010790","name":"Erasmus+","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100010790","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100011033","name":"Agencia Estatal de Investigaci?n","doi-asserted-by":"publisher","award":["PID2024-162002NB-I00"],"award-info":[{"award-number":["PID2024-162002NB-I00"]}],"id":[{"id":"10.13039\/501100011033","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004593","name":"Universidad Aut?noma de Madrid","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004593","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,7,13]]},"DOI":"10.1021\/acs.jcim.6c01438","type":"journal-article","created":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T08:13:47Z","timestamp":1782807227000},"page":"7611-7621","source":"Crossref","is-referenced-by-count":0,"title":["Setting the Bases of the Photogenotoxicity of\n                    <i>p<\/i>\n                    -Aminobenzoic Acid"],"prefix":"10.1021","volume":"66","author":[{"given":"Julia","family":"Arnanz","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica","place":["Madrid, Spain"]},{"name":"Universidad Aut\u00f3noma de Madrid","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9464-1463","authenticated-orcid":true,"given":"Antonio","family":"Monari","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9 and CNRS","place":["Paris, France"]},{"name":"ITODYS","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9455-4906","authenticated-orcid":true,"given":"In\u00e9s","family":"Corral","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica","place":["Madrid, Spain"]},{"name":"Universidad Aut\u00f3noma de Madrid","place":["Madrid, Spain"]},{"name":"Institute for Advanced Research in Chemical Sciences (IAdChem)","place":["Madrid, Spain"]},{"name":"Universidad Aut\u00f3noma de Madrid","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7419-5670","authenticated-orcid":true,"given":"Juan J.","family":"Nogueira","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica","place":["Madrid, Spain"]},{"name":"Universidad Aut\u00f3noma de Madrid","place":["Madrid, Spain"]},{"name":"Institute for Advanced Research in Chemical Sciences (IAdChem)","place":["Madrid, Spain"]},{"name":"Universidad Aut\u00f3noma de Madrid","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","unstructured":"Hibler, B. P.; Dusza, S. W.; Wang, S. Q.\n                      Principles and Practice of Photoprotection\n                      ; Adis, 2016; pp 23\u201338.","DOI":"10.1007\/978-3-319-29382-0_2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s40257-021-00632-5"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0604213103"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b06701"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-010-0854-z"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ja304069f"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2407-5-135"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1562\/2006-02-28-IR-820"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","unstructured":"Franc\u00e9s-Monerris, A.; Gillet, N.; Dumont, E.; Monari, A.\n                      QM\/MM Studies of Light-Responsive Biological Systems\n                      ; Springer International Publishing, 2021; pp 293\u2013332.","DOI":"10.1007\/978-3-030-57721-6_7"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","unstructured":"Meyer, T.; Beasley, D.; Hanson, K.\n                      Principles and Practice of Photoprotection\n                      ; Springer International Publishing, 2016; pp 439\u2013460.","DOI":"10.1007\/978-3-319-29382-0_26"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP07014A"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1111\/j.1751-1097.1995.tb08717.x"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2011.09.032"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1111\/j.1529-8019.2007.00150.x"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/S1011-1344(01)00202-0"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1046\/j.1440-0960.1999.00319.x"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1111\/j.1751-1097.1992.tb08507.x"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/1010-6030(94)03827-9"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1111\/j.1751-1097.1984.tb04604.x"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1111\/j.1751-1097.1992.tb08506.x"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/1011-1344(95)07185-7"},{"key":"ref22\/cit22","unstructured":"European Union.\n                      Commission Regulation\n(EU) No 344\/2013\nof 4 April 2013 amending Annexes II, III, V and VI to Regulation (EC)\nNo 1223\/2009 of the European Parliament and of the Council on Cosmetic\nProducts\n                      , 2013. http:\/\/data.europa.eu\/eli\/reg\/2013\/344\/oj."},{"key":"ref23\/cit23","unstructured":"Department of Health and Human Services, Food and\nDrug Administration.\n                      Sunscreen Drug Products for\nOver-the-Counter Human Use\n(84 FR 6204)\n                      , 2019. https:\/\/www.federalregister.gov\/documents\/2019\/02\/26\/2019-03019\/sunscreen-drug-products-for-over-the-counter-human-use#h-48."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.physchem.59.032607.093719"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1111\/php.12533"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c02193"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/1011-1344(92)80025-Q"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpap.2021.100042"},{"key":"ref29\/cit29","volume-title":"AMBER 2020","author":"Case D. A.","year":"2020"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jp003020w"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00186"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/5.0019056"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674902"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-1280(98)00553-3"},{"key":"ref37\/cit37","volume-title":"Gaussian 16","author":"Frisch M. J.","year":"2016"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.3149788"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/5.0014475"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.470648"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0802079105"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jp036164u"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-012-1237-4"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/qua.25049"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.06.011"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20853"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24266"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00105"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.3073302"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ja808998q"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC01600J"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ja054955z"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp906265c"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.5143076"},{"key":"ref59\/cit59","unstructured":"Ihmels, H.; Otto, D.\n                      Supermolecular Dye Chemistry\n                      ; Springer-Verlag, 2005; pp 161\u2013204."},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/jz4021475"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ja01567a008"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/j.colsurfb.2009.08.030"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0606757104"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ja904777h"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/jp9716997"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b00450"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c01438","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c01438","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,13]],"date-time":"2026-07-13T12:29:11Z","timestamp":1783945751000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c01438"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,30]]},"references-count":66,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2026,7,13]]}},"alternative-id":["10.1021\/acs.jcim.6c01438"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c01438","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2025-zql2w","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,30]]}}}