{"id":"https://openalex.org/W4392236786","doi":"https://doi.org/10.3389/ftox.2024.1321857","title":"Use of in vitro methods combined with in silico analysis to identify potential skin sensitizers in the Tox21 10K compound library","display_name":"Use of in vitro methods combined with in silico analysis to identify potential skin sensitizers in the Tox21 10K compound library","publication_year":2024,"publication_date":"2024-02-28","ids":{"openalex":"https://openalex.org/W4392236786","doi":"https://doi.org/10.3389/ftox.2024.1321857","pmid":"https://pubmed.ncbi.nlm.nih.gov/38482198","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/10933113"},"language":"en","primary_location":{"id":"doi:10.3389/ftox.2024.1321857","doi":"https://doi.org/10.3389/ftox.2024.1321857","is_oa":true,"landing_page_url":"https://doi.org/10.3389/ftox.2024.1321857","pdf_url":"https://www.frontiersin.org/articles/10.3389/ftox.2024.1321857/pdf?isPublishedV2=False","source":{"id":"https://openalex.org/S4210231588","display_name":"Frontiers in Toxicology","issn_l":"2673-3080","issn":["2673-3080"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Toxicology","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.frontiersin.org/articles/10.3389/ftox.2024.1321857/pdf?isPublishedV2=False","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5020279676","display_name":"Zhengxi Wei","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Zhengxi Wei","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029684530","display_name":"Tuan Xu","orcid":"https://orcid.org/0000-0001-6430-3500","observed_orcids":["https://orcid.org/0000-0001-6430-3500"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tuan Xu","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040691234","display_name":"Judy A. Strickland","orcid":"https://orcid.org/0000-0002-4112-7484","observed_orcids":["https://orcid.org/0000-0002-4112-7484"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Judy Strickland","raw_affiliation_strings":["Inotiv, Inc., Research Triangle Park, NC, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Inotiv, Inc., Research Triangle Park, NC, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"Li Zhang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Li Zhang","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059733767","display_name":"Yuhong Fang","orcid":"https://orcid.org/0000-0001-6742-5677","observed_orcids":["https://orcid.org/0000-0001-6742-5677"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuhong Fang","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039590396","display_name":"Dingyin Tao","orcid":"https://orcid.org/0000-0001-6531-2740","observed_orcids":["https://orcid.org/0000-0001-6531-2740"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dingyin Tao","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059969497","display_name":"Anton M. Simeonov","orcid":"https://orcid.org/0000-0002-4523-9977","observed_orcids":["https://orcid.org/0000-0002-4523-9977"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anton Simeonov","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011366541","display_name":"Ruili Huang","orcid":"https://orcid.org/0000-0001-8886-8311","observed_orcids":["https://orcid.org/0000-0001-8886-8311"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ruili Huang","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084541486","display_name":"Nicole Kleinstreuer","orcid":"https://orcid.org/0000-0002-7914-3682","observed_orcids":["https://orcid.org/0000-0002-7914-3682"]},"institutions":[{"id":"https://openalex.org/I4210095140","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210095140"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nicole C. Kleinstreuer","raw_affiliation_strings":["National Toxicology Program Interagency Center for the Evaluation of Alternative Toxicological Methods, Division of the National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Toxicology Program Interagency Center for the Evaluation of Alternative Toxicological Methods, Division of the National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC, United States","institution_ids":["https://openalex.org/I4210095140"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038035464","display_name":"Menghang Xia","orcid":"https://orcid.org/0000-0001-7285-8469","observed_orcids":["https://orcid.org/0000-0001-7285-8469"]},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210148682","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Menghang Xia","raw_affiliation_strings":["National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institutes of Health, National Center for Advancing Translational Sciences, Bethesda, MD, United States","institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5020279676","https://openalex.org/A5038035464"],"corresponding_institution_ids":["https://openalex.org/I1299303238","https://openalex.org/I4210148682"],"apc_list":{"value":2125,"currency":"USD","value_usd":2125},"apc_paid":{"value":2125,"currency":"USD","value_usd":2125},"fwci":2.4311,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.87421862,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":97},"biblio":{"volume":"6","issue":null,"first_page":"1321857","last_page":"1321857"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11033","display_name":"Contact Dermatitis and Allergies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2708","display_name":"Dermatology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11033","display_name":"Contact Dermatitis and Allergies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2708","display_name":"Dermatology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11117","display_name":"Drug-Induced Adverse Reactions","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10837","display_name":"Dermatology and Skin Diseases","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2708","display_name":"Dermatology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/skin-sensitization","display_name":"skin sensitization","score":0.9990000128746033},{"id":"https://openalex.org/keywords/allergic-contact-dermatitis","display_name":"allergic contact dermatitis","score":0.9520000219345093},{"id":"https://openalex.org/keywords/direct-peptide-reactivity-assay","display_name":"direct peptide reactivity assay","score":0.847000002861023},{"id":"https://openalex.org/keywords/thp-1-cells","display_name":"THP-1 cells","score":0.847000002861023},{"id":"https://openalex.org/keywords/qsar-modeling","display_name":"QSAR models","score":0.6579999923706055},{"id":"https://openalex.org/keywords/in-silico-prediction","display_name":"in silico prediction","score":0.7730000019073486},{"id":"https://openalex.org/keywords/quantitative-high-throughput-screening","display_name":"quantitative high-throughput screening","score":0.8339999914169312},{"id":"https://openalex.org/keywords/chemical-prioritization","display_name":"chemical prioritization","score":0.7179999947547913}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.855981707572937},{"id":"https://openalex.org/C3018346242","wikidata":"https://www.wikidata.org/wiki/Q4826986","display_name":"Skin sensitization","level":3,"score":0.6957330703735352},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.6679406762123108},{"id":"https://openalex.org/C2776217527","wikidata":"https://www.wikidata.org/wiki/Q944828","display_name":"Sensitization","level":2,"score":0.6070716381072998},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5555656552314758},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45685723423957825},{"id":"https://openalex.org/C2780614586","wikidata":"https://www.wikidata.org/wiki/Q6664446","display_name":"Local lymph node assay","level":4,"score":0.41925641894340515},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2827087938785553},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.19231262803077698},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.15187028050422668},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.14682289958000183},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3389/ftox.2024.1321857","doi":"https://doi.org/10.3389/ftox.2024.1321857","is_oa":true,"landing_page_url":"https://doi.org/10.3389/ftox.2024.1321857","pdf_url":"https://www.frontiersin.org/articles/10.3389/ftox.2024.1321857/pdf?isPublishedV2=False","source":{"id":"https://openalex.org/S4210231588","display_name":"Frontiers in Toxicology","issn_l":"2673-3080","issn":["2673-3080"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Toxicology","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:10933113","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10933113","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10933113/pdf/ftox-06-1321857.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Front Toxicol","raw_type":"Text"},{"id":"pmid:38482198","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38482198","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in toxicology","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:18a1c8f0daa2490a935d7470c9a49342","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/18a1c8f0daa2490a935d7470c9a49342","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Frontiers in Toxicology, Vol 6 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3389/ftox.2024.1321857","doi":"https://doi.org/10.3389/ftox.2024.1321857","is_oa":true,"landing_page_url":"https://doi.org/10.3389/ftox.2024.1321857","pdf_url":"https://www.frontiersin.org/articles/10.3389/ftox.2024.1321857/pdf?isPublishedV2=False","source":{"id":"https://openalex.org/S4210231588","display_name":"Frontiers in Toxicology","issn_l":"2673-3080","issn":["2673-3080"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Toxicology","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.6240000128746033}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1677957440","display_name":null,"funder_award_id":"HHSN273201500010C","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6119518028","display_name":null,"funder_award_id":"NTR 12003","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"},{"id":"https://openalex.org/G6308604930","display_name":null,"funder_award_id":"HHSN273201500010C","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337361","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63"},{"id":"https://openalex.org/F4320337472","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4392236786.pdf","grobid_xml":"https://content.openalex.org/works/W4392236786.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W96929193","https://openalex.org/W273955616","https://openalex.org/W1718770430","https://openalex.org/W1897876044","https://openalex.org/W1965313623","https://openalex.org/W1966327639","https://openalex.org/W1971821266","https://openalex.org/W1986162358","https://openalex.org/W1986280420","https://openalex.org/W2003528161","https://openalex.org/W2006617902","https://openalex.org/W2007171871","https://openalex.org/W2010355418","https://openalex.org/W2031250847","https://openalex.org/W2049140550","https://openalex.org/W2051540716","https://openalex.org/W2056636541","https://openalex.org/W2064892263","https://openalex.org/W2067317852","https://openalex.org/W2082788438","https://openalex.org/W2128245586","https://openalex.org/W2128879247","https://openalex.org/W2140461696","https://openalex.org/W2145126338","https://openalex.org/W2151518054","https://openalex.org/W2156268819","https://openalex.org/W2157312113","https://openalex.org/W2157971131","https://openalex.org/W2169725287","https://openalex.org/W2269194472","https://openalex.org/W2271802269","https://openalex.org/W2511555102","https://openalex.org/W2512617979","https://openalex.org/W2514022639","https://openalex.org/W2547295045","https://openalex.org/W2571007314","https://openalex.org/W2589805776","https://openalex.org/W2610808267","https://openalex.org/W2617033517","https://openalex.org/W2767290400","https://openalex.org/W2790898262","https://openalex.org/W2792505613","https://openalex.org/W2794105745","https://openalex.org/W2902359104","https://openalex.org/W2914983738","https://openalex.org/W2956704530","https://openalex.org/W2970991505","https://openalex.org/W2971857672","https://openalex.org/W3007708804","https://openalex.org/W3023383404","https://openalex.org/W3113208072","https://openalex.org/W3123784365","https://openalex.org/W3212830552","https://openalex.org/W4292559690","https://openalex.org/W4318667571","https://openalex.org/W4362522639","https://openalex.org/W4399647672"],"related_works":["https://openalex.org/W4397021221","https://openalex.org/W2124700474","https://openalex.org/W2335419871","https://openalex.org/W2021823786","https://openalex.org/W1592026921","https://openalex.org/W4403015870","https://openalex.org/W2184950093","https://openalex.org/W1965313623","https://openalex.org/W2580970169","https://openalex.org/W6963193839"],"abstract_inverted_index":{"Introduction:":[0],"Skin":[1],"sensitization,":[2],"which":[3],"leads":[4],"to":[5,49,103,175,182,188,209],"allergic":[6],"contact":[7],"dermatitis,":[8],"is":[9],"a":[10,37,75,82,105,159,195],"key":[11],"toxicological":[12],"endpoint":[13],"with":[14,203],"high":[15],"occupational":[16],"and":[17,43,80,111,134,141,165,181,206],"consumer":[18],"prevalence.":[19],"This":[20],"study":[21],"optimized":[22],"several":[23],"in":[24,28,45,114,138,143,168],"vitro":[25,169],"assays":[26],"listed":[27],"OECD":[29,149],"skin":[30,52,196],"sensitization":[31,53,145,189,197],"test":[32],"guidelines":[33],"for":[34],"use":[35],"on":[36,89],"quantitative":[38,83],"high-throughput":[39],"screening":[40,97],"(qHTS)":[41],"platform":[42],"performed":[44],"silico":[46,144],"model":[47,87],"predictions":[48],"assess":[50],"the":[51,59,68,90,94,115,148,163],"potential":[54,146],"of":[55,108,167,199],"prioritized":[56,100],"compounds":[57,102],"from":[58],"Tox21":[60,70],"10K":[61,71],"compound":[62,72],"library.":[63],"Methods:":[64],"First,":[65],"we":[66,99,193],"screened":[67],"entire":[69],"library":[73],"using":[74,147,158],"qHTS":[76,95,156],"KeratinoSensTM":[77],"(KS)":[78],"assay":[79,125],"built":[81],"structure\u2013activity":[84],"relationship":[85],"(QSAR)":[86],"based":[88],"KS":[91,96],"results.":[92],"From":[93],"results,":[98],"288":[101],"cover":[104],"wide":[106],"range":[107],"structural":[109,173,186],"chemotypes":[110,174],"tested":[112],"them":[113],"solid":[116],"phase":[117],"extraction\u2013tandem":[118],"mass":[119],"spectrometry":[120],"(SPE\u2013MS/MS)":[121],"direct":[122],"peptide":[123],"reactivity":[124],"(DPRA),":[126],"IL-8":[127],"homogeneous":[128],"time-resolved":[129],"fluorescence":[130],"(HTRF)":[131],"assay,":[132],"CD86":[133],"CD54":[135],"surface":[136],"expression":[137],"THP1":[139],"cells,":[140],"predicted":[142],"QSAR":[150],"Toolbox":[151],"(v4.5).":[152],"Results:":[153],"Interpreting":[154],"tiered":[155],"datasets":[157],"defined":[160],"approach":[161],"showed":[162],"effectiveness":[164],"efficiency":[166],"methods.":[170],"We":[171],"selected":[172],"present":[176],"this":[177],"diverse":[178],"chemical":[179,211],"collection":[180],"explore":[183],"previously":[184],"unidentified":[185],"contributions":[187],"potential.":[190],"Discussion:":[191],"Here,":[192],"provide":[194],"dataset":[198],"unprecedented":[200],"size,":[201],"along":[202],"associated":[204],"tools,":[205],"analysis":[207],"designed":[208],"support":[210],"assessments.":[212]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":2}],"updated_date":"2026-10-29T09:56:32.521200","created_date":"2024-03-05T00:00:00"}