{"id":"https://openalex.org/W4311578563","doi":"https://doi.org/10.1021/acs.jcim.2c01126","title":"TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity","display_name":"TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity","publication_year":2022,"publication_date":"2022-12-15","ids":{"openalex":"https://openalex.org/W4311578563","doi":"https://doi.org/10.1021/acs.jcim.2c01126","pmid":"https://pubmed.ncbi.nlm.nih.gov/36520016"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c01126","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c01126","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043867961","display_name":"Maria Vittoria Togo","orcid":"https://orcid.org/0000-0002-5847-1230"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Maria Vittoria Togo","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000257777","display_name":"Fabrizio Mastrolorito","orcid":"https://orcid.org/0000-0001-6753-8997"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fabrizio Mastrolorito","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074347557","display_name":"Fulvio Ciriaco","orcid":"https://orcid.org/0000-0002-0695-6607"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fulvio Ciriaco","raw_affiliation_strings":["Dipartimento di Chimica, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125, Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077504384","display_name":"Daniela Trisciuzzi","orcid":"https://orcid.org/0000-0002-8799-6562"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Daniela Trisciuzzi","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046873957","display_name":"Anna Rita Tondo","orcid":"https://orcid.org/0000-0003-0874-9828"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Anna Rita Tondo","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029372344","display_name":"Nicola Gambacorta","orcid":"https://orcid.org/0000-0003-1965-1519"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Nicola Gambacorta","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026664739","display_name":"Loredana Bellantuono","orcid":"https://orcid.org/0000-0002-1333-2675"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Loredana Bellantuono","raw_affiliation_strings":["Dipartimento di Biomedicina Traslazionale e Neuroscienze (DiBraiN), Universit\u00e0 degli Studi di Bari Aldo Moro, 70124Bari, Italy","Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Biomedicina Traslazionale e Neuroscienze (DiBraiN), Universit\u00e0 degli Studi di Bari Aldo Moro, 70124Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy","institution_ids":["https://openalex.org/I4210112283"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009283925","display_name":"A. Monaco","orcid":"https://orcid.org/0000-0002-5968-8642"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Alfonso Monaco","raw_affiliation_strings":["Dipartimento Interateneo di Fisica M. Merlin, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Interateneo di Fisica M. Merlin, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy","institution_ids":["https://openalex.org/I4210112283"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048477086","display_name":"Francesco Leonetti","orcid":"https://orcid.org/0000-0003-2043-7464"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Francesco Leonetti","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014383766","display_name":"R. Bellotti","orcid":"https://orcid.org/0000-0003-3198-2708"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Roberto Bellotti","raw_affiliation_strings":["Dipartimento Interateneo di Fisica M. Merlin, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Interateneo di Fisica M. Merlin, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy","institution_ids":["https://openalex.org/I4210112283"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086336840","display_name":"Cosimo Altomare","orcid":"https://orcid.org/0000-0001-5016-5805"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cosimo Damiano Altomare","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000517454","display_name":"Nicola Amoroso","orcid":"https://orcid.org/0000-0003-0211-0783"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Nicola Amoroso","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125Bari, Italy","institution_ids":["https://openalex.org/I4210112283"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024737795","display_name":"Orazio Nicolotti","orcid":"https://orcid.org/0000-0001-6533-5539"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Orazio Nicolotti","raw_affiliation_strings":["Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy"],"raw_orcid":"https://orcid.org/0000-0001-6533-5539","affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia-Scienze del Farmaco, Universit\u00e0 degli Studi di Bari Aldo Moro, 70125Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":13,"corresponding_author_ids":["https://openalex.org/A5000517454","https://openalex.org/A5024737795"],"corresponding_institution_ids":["https://openalex.org/I4210112283","https://openalex.org/I5561750"],"apc_list":null,"apc_paid":null,"fwci":5.6325,"has_fulltext":false,"cited_by_count":44,"citation_normalized_percentile":{"value":0.96553613,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"63","issue":"1","first_page":"56","last_page":"66"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9940000176429749,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9940000176429749,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9351999759674072,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10804","display_name":"Health Systems, Economic Evaluations, Quality of Life","score":0.9151999950408936,"subfield":{"id":"https://openalex.org/subfields/2002","display_name":"Economics and Econometrics"},"field":{"id":"https://openalex.org/fields/20","display_name":"Economics, Econometrics and Finance"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7250043153762817},{"id":"https://openalex.org/keywords/generalization","display_name":"Generalization","score":0.6675329804420471},{"id":"https://openalex.org/keywords/applicability-domain","display_name":"Applicability domain","score":0.6612643599510193},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5493783354759216},{"id":"https://openalex.org/keywords/transparency","display_name":"Transparency (behavior)","score":0.5349235534667969},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5259062051773071},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.5032257437705994},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4841676354408264},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.46744856238365173},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09047320485115051}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7250043153762817},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.6675329804420471},{"id":"https://openalex.org/C107908354","wikidata":"https://www.wikidata.org/wiki/Q4781456","display_name":"Applicability domain","level":3,"score":0.6612643599510193},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5493783354759216},{"id":"https://openalex.org/C2780233690","wikidata":"https://www.wikidata.org/wiki/Q535347","display_name":"Transparency (behavior)","level":2,"score":0.5349235534667969},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5259062051773071},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.5032257437705994},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4841676354408264},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.46744856238365173},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09047320485115051},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.2c01126","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c01126","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:36520016","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36520016","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,"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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:ricerca.uniba.it:11586/417491","is_oa":false,"landing_page_url":"https://hdl.handle.net/11586/417491","pdf_url":null,"source":{"id":"https://openalex.org/S4377196296","display_name":"CINECA IRIS Institutional Research Information System (University of Bari Aldo Moro)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I5561750","host_organization_name":"University of Bari Aldo Moro","host_organization_lineage":["https://openalex.org/I5561750"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.47999998927116394,"id":"https://metadata.un.org/sdg/17","display_name":"Partnerships for the goals"}],"awards":[{"id":"https://openalex.org/G1942947453","display_name":null,"funder_award_id":"CUP H99J21017390006","funder_id":"https://openalex.org/F4320323256","funder_display_name":"Universita degli Studi di Bari Aldo Moro"}],"funders":[{"id":"https://openalex.org/F4320323256","display_name":"Universita degli Studi di Bari Aldo Moro","ror":"https://ror.org/027ynra39"},{"id":"https://openalex.org/F4320338080","display_name":"European Social Fund","ror":"https://ror.org/00k4n6c32"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W158824538","https://openalex.org/W1540105270","https://openalex.org/W1917418731","https://openalex.org/W1964940342","https://openalex.org/W1968126294","https://openalex.org/W1977382278","https://openalex.org/W1978091994","https://openalex.org/W1991157450","https://openalex.org/W1998523455","https://openalex.org/W1998549010","https://openalex.org/W2015866962","https://openalex.org/W2015931265","https://openalex.org/W2032916421","https://openalex.org/W2053717624","https://openalex.org/W2067582939","https://openalex.org/W2078524519","https://openalex.org/W2088252378","https://openalex.org/W2099568216","https://openalex.org/W2135011268","https://openalex.org/W2137454940","https://openalex.org/W2150629172","https://openalex.org/W2155723002","https://openalex.org/W2167868121","https://openalex.org/W2213443318","https://openalex.org/W2254686952","https://openalex.org/W2295598076","https://openalex.org/W2333402211","https://openalex.org/W2487898712","https://openalex.org/W2526026918","https://openalex.org/W2606483013","https://openalex.org/W2607804943","https://openalex.org/W2761470005","https://openalex.org/W2780705833","https://openalex.org/W2791355014","https://openalex.org/W2883583109","https://openalex.org/W2891503716","https://openalex.org/W2892094491","https://openalex.org/W2902800472","https://openalex.org/W2913668833","https://openalex.org/W2952832141","https://openalex.org/W2958089299","https://openalex.org/W2963518130","https://openalex.org/W2966241529","https://openalex.org/W2967578682","https://openalex.org/W2970771711","https://openalex.org/W2972097395","https://openalex.org/W3011403448","https://openalex.org/W3021384715","https://openalex.org/W3043005121","https://openalex.org/W3044984708","https://openalex.org/W3080742388","https://openalex.org/W3092478145","https://openalex.org/W3093687066","https://openalex.org/W3171183426","https://openalex.org/W3204734866","https://openalex.org/W4224245099","https://openalex.org/W4229332892","https://openalex.org/W4244895750","https://openalex.org/W4247980034","https://openalex.org/W4307857927"],"related_works":["https://openalex.org/W2746158299","https://openalex.org/W1969085205","https://openalex.org/W1977382278","https://openalex.org/W2090257471","https://openalex.org/W1970841929","https://openalex.org/W3005120176","https://openalex.org/W2309296013","https://openalex.org/W2985099987","https://openalex.org/W2033669961","https://openalex.org/W2083497194"],"abstract_inverted_index":{"Herein,":[0],"a":[1,18,82,113,185,197,240],"robust":[2],"and":[3,91,108,125,147,155,165,202,232,237],"reproducible":[4],"eXplainable":[5],"Artificial":[6],"Intelligence":[7,231],"(XAI)":[8],"approach":[9],"is":[10,32,75],"presented,":[11],"which":[12],"allows":[13],"prediction":[14],"of":[15,26,33,42,47,59,69,105,172,242],"developmental":[16,38,118],"toxicity,":[17],"challenging":[19],"human-health":[20],"endpoint":[21],"in":[22,103,112,184,188,228],"toxicology.":[23,49],"The":[24,94],"application":[25],"XAI":[27],"as":[28,81],"an":[29],"alternative":[30],"method":[31],"the":[34,43,53,100,129,160,170,180,208,215],"utmost":[35],"importance":[36],"with":[37,99,196],"toxicity":[39,119],"being":[40],"one":[41,151],"most":[44],"animal-intensive":[45],"areas":[46],"regulatory":[48,178],"In":[50],"this":[51],"work,":[52],"established":[54],"CAESAR":[55],"(Computer":[56],"Assisted":[57],"Evaluation":[58],"industrial":[60],"chemical":[61],"Substances":[62],"According":[63],"to":[64,152,212],"Regulations)":[65],"training":[66],"set":[67],"made":[68],"234":[70],"chemicals":[71],"for":[72,89,117,162,169,177,235],"model":[73,137,199,224],"learning":[74],"employed.":[76],"Two":[77],"test":[78],"sets,":[79],"including":[80],"whole":[83],"585":[84],"chemicals,":[85],"were":[86],"instead":[87],"used":[88],"validation":[90,171],"generalization":[92],"purposes.":[93],"proposed":[95],"framework":[96],"favorably":[97],"compares":[98],"state-of-the-art":[101],"approaches":[102],"terms":[104],"accuracy,":[106],"sensitivity,":[107],"specificity,":[109],"thus":[110],"resulting":[111],"reliable":[114],"support":[115],"system":[116],"ensuring":[120],"informativeness,":[121],"uncertainty":[122],"estimation,":[123],"generalization,":[124],"transparency.":[126],"Based":[127],"on":[128,143],"eXtreme":[130],"Gradient":[131],"Boosting":[132],"(XGB)":[133],"algorithm,":[134],"our":[135,223],"predictive":[136],"provides":[138],"easy":[139],"interpretative":[140],"keys":[141],"based":[142],"specific":[144],"molecular":[145,220],"descriptors":[146],"structural":[148],"alerts":[149],"enabling":[150],"distinguish":[153],"toxic":[154],"nontoxic":[156],"chemicals.":[157],"Inspired":[158],"by":[159,219],"Organisation":[161],"Economic":[163],"Co-operation":[164],"Development":[166],"(OECD)":[167],"principles":[168],"Quantitative":[173],"Structure-Activity":[174],"Relationships":[175],"(QSARs)":[176],"purposes,":[179],"results":[181],"are":[182],"summarized":[183],"standard":[186],"report":[187],"portable":[189],"document":[190],"format,":[191],"enclosing":[192],"also":[193],"details":[194],"concerned":[195],"density-based":[198],"applicability":[200],"domain":[201],"SHAP":[203],"(SHapley":[204],"Additive":[205],"exPlanations)":[206],"explainability,":[207],"latter":[209],"particularly":[210],"useful":[211],"better":[213],"understand":[214],"effective":[216],"roles":[217],"played":[218],"features.":[221],"Notably,":[222],"has":[225],"been":[226],"implemented":[227],"TIRESIA":[229],"(Toxicology":[230],"Regulatory":[233],"Evaluations":[234],"Scientific":[236],"Industry":[238],"Applications),":[239],"free":[241],"charge":[243],"web":[244],"platform":[245],"available":[246],"at":[247],"http://tiresia.uniba.it.":[248]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":12},{"year":2024,"cited_by_count":14},{"year":2023,"cited_by_count":11}],"updated_date":"2026-05-21T09:19:25.381259","created_date":"2025-10-10T00:00:00"}