{"id":"https://openalex.org/W4416395682","doi":"https://doi.org/10.1021/acs.jcim.5c02068","title":"A Simple Framework for Collaborative Development of Predictive Models Trained on Proprietary Data","display_name":"A Simple Framework for Collaborative Development of Predictive Models Trained on Proprietary Data","publication_year":2025,"publication_date":"2025-11-18","ids":{"openalex":"https://openalex.org/W4416395682","doi":"https://doi.org/10.1021/acs.jcim.5c02068","pmid":"https://pubmed.ncbi.nlm.nih.gov/41253527"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c02068","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02068","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c02068?ref=article_openPDF","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c02068?ref=article_openPDF","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5038909009","display_name":"Pablo Rodr\u00edguez-Belenguer","orcid":"https://orcid.org/0000-0001-5270-7452"},"institutions":[{"id":"https://openalex.org/I4210118047","display_name":"Laboratoire d\u2019Imagerie Biom\u00e9dicale","ror":"https://ror.org/02b9znm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I39804081","https://openalex.org/I4210096427","https://openalex.org/I4210118047"]},{"id":"https://openalex.org/I4210166036","display_name":"Instituto de Investigaci\u00f3n Sanitaria La Fe","ror":"https://ror.org/05n7v5997","country_code":"ES","type":"nonprofit","lineage":["https://openalex.org/I4210166036"]}],"countries":["ES","FR"],"is_corresponding":false,"raw_author_name":"Pablo Rodr\u00edguez-Belenguer","raw_affiliation_strings":["Biomedical Imaging Research Group (GIBI230)","Instituto de Investigaci\u00f3n Sanitaria La Fe"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biomedical Imaging Research Group (GIBI230)","institution_ids":["https://openalex.org/I4210118047"]},{"raw_affiliation_string":"Instituto de Investigaci\u00f3n Sanitaria La Fe","institution_ids":["https://openalex.org/I4210166036"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110550239","display_name":"Alexander Amberg","orcid":"https://orcid.org/0000-0001-9923-0137"},"institutions":[{"id":"https://openalex.org/I4210138838","display_name":"Sanofi (Germany)","ror":"https://ror.org/03ytdtb31","country_code":"DE","type":"company","lineage":["https://openalex.org/I3018075036","https://openalex.org/I4210138838"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Alexander Amberg","raw_affiliation_strings":["Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany","institution_ids":["https://openalex.org/I4210138838"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059885874","display_name":"Frank Bringezu","orcid":"https://orcid.org/0000-0002-3628-6317"},"institutions":[{"id":"https://openalex.org/I164928964","display_name":"Merck KGaA, Darmstadt (Germany)","ror":"https://ror.org/04b2dty93","country_code":"DE","type":"company","lineage":["https://openalex.org/I164928964"]},{"id":"https://openalex.org/I194391707","display_name":"BioClinica (United States)","ror":"https://ror.org/03t95yr58","country_code":"US","type":"company","lineage":["https://openalex.org/I194391707"]}],"countries":["DE","US"],"is_corresponding":false,"raw_author_name":"Frank Bringezu","raw_affiliation_strings":["Chemical & Preclinical Safety","Merck Healthcare KGaA","Merck Healthcare KGaA, Chemical & Preclinical Safety, Darmstadt 64293, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical & Preclinical Safety","institution_ids":["https://openalex.org/I194391707"]},{"raw_affiliation_string":"Merck Healthcare KGaA","institution_ids":["https://openalex.org/I164928964"]},{"raw_affiliation_string":"Merck Healthcare KGaA, Chemical & Preclinical Safety, Darmstadt 64293, Germany","institution_ids":["https://openalex.org/I164928964"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049383279","display_name":"Markus Frericks","orcid":null},"institutions":[{"id":"https://openalex.org/I3019562804","display_name":"BASF (United States)","ror":"https://ror.org/002yzpx87","country_code":"US","type":"company","lineage":["https://openalex.org/I3019562804","https://openalex.org/I4210107087"]},{"id":"https://openalex.org/I4210107087","display_name":"BASF (Germany)","ror":"https://ror.org/01q8f6705","country_code":"DE","type":"company","lineage":["https://openalex.org/I4210107087"]}],"countries":["DE","US"],"is_corresponding":false,"raw_author_name":"Markus Frericks","raw_affiliation_strings":["BASF SE, Registered Office, Ludwigshafen 67056, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BASF SE, Registered Office, Ludwigshafen 67056, Germany","institution_ids":["https://openalex.org/I3019562804","https://openalex.org/I4210107087"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018827857","display_name":"Jennifer Hemmerich","orcid":"https://orcid.org/0000-0003-0372-8956"},"institutions":[{"id":"https://openalex.org/I3019562804","display_name":"BASF (United States)","ror":"https://ror.org/002yzpx87","country_code":"US","type":"company","lineage":["https://openalex.org/I3019562804","https://openalex.org/I4210107087"]},{"id":"https://openalex.org/I4210107087","display_name":"BASF (Germany)","ror":"https://ror.org/01q8f6705","country_code":"DE","type":"company","lineage":["https://openalex.org/I4210107087"]}],"countries":["DE","US"],"is_corresponding":false,"raw_author_name":"Jennifer Hemmerich","raw_affiliation_strings":["BASF SE, Registered Office, Ludwigshafen 67056, Germany"],"raw_orcid":"https://orcid.org/0000-0003-0372-8956","affiliations":[{"raw_affiliation_string":"BASF SE, Registered Office, Ludwigshafen 67056, Germany","institution_ids":["https://openalex.org/I3019562804","https://openalex.org/I4210107087"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022960087","display_name":"Peter Monecke","orcid":null},"institutions":[{"id":"https://openalex.org/I4210138838","display_name":"Sanofi (Germany)","ror":"https://ror.org/03ytdtb31","country_code":"DE","type":"company","lineage":["https://openalex.org/I3018075036","https://openalex.org/I4210138838"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Peter Monecke","raw_affiliation_strings":["Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany","institution_ids":["https://openalex.org/I4210138838"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076164564","display_name":"Nils Oberhauser","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]},{"id":"https://openalex.org/I4210104729","display_name":"Novartis (Netherlands)","ror":"https://ror.org/01a80cj23","country_code":"NL","type":"company","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4210104729"]}],"countries":["CH","NL"],"is_corresponding":false,"raw_author_name":"Nils Oberhauser","raw_affiliation_strings":["Novartis Pharma","Novartis Pharma, Basel CH-4056, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Novartis Pharma","institution_ids":["https://openalex.org/I4210104729"]},{"raw_affiliation_string":"Novartis Pharma, Basel CH-4056, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008563172","display_name":"Panuwat Trairatphisan","orcid":"https://orcid.org/0000-0001-9015-5855"},"institutions":[{"id":"https://openalex.org/I4210138838","display_name":"Sanofi (Germany)","ror":"https://ror.org/03ytdtb31","country_code":"DE","type":"company","lineage":["https://openalex.org/I3018075036","https://openalex.org/I4210138838"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Panuwat Trairatphisan","raw_affiliation_strings":["Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sanofi, Preclinical Safety, Industriepark Hoechst, Frankfurt am Main 65926, Germany","institution_ids":["https://openalex.org/I4210138838"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076446637","display_name":"Manuel Pastor","orcid":"https://orcid.org/0000-0001-8850-1341"},"institutions":[{"id":"https://openalex.org/I170486558","display_name":"Universitat Pompeu Fabra","ror":"https://ror.org/04n0g0b29","country_code":"ES","type":"education","lineage":["https://openalex.org/I170486558"]},{"id":"https://openalex.org/I4210152232","display_name":"Institute of Informatics of the Slovak Academy of Sciences","ror":"https://ror.org/04jgqpc26","country_code":"SK","type":"facility","lineage":["https://openalex.org/I207624831","https://openalex.org/I4210152232"]}],"countries":["ES","SK"],"is_corresponding":true,"raw_author_name":"Manuel Pastor","raw_affiliation_strings":["Research Programme on Biomedical Informatics (GRIB), Department of Medicine and Life Sciences, Hospital Del Mar Medical Research Institute","Universitat Pompeu Fabra","Research Programme on Biomedical Informatics (GRIB), Department of Medicine and Life Sciences, Hospital Del Mar Medical Research Institute, Universitat Pompeu Fabra, Barcelona 08003, Spain"],"raw_orcid":"https://orcid.org/0000-0001-8850-1341","affiliations":[{"raw_affiliation_string":"Research Programme on Biomedical Informatics (GRIB), Department of Medicine and Life Sciences, Hospital Del Mar Medical Research Institute","institution_ids":["https://openalex.org/I4210152232"]},{"raw_affiliation_string":"Universitat Pompeu Fabra","institution_ids":["https://openalex.org/I170486558"]},{"raw_affiliation_string":"Research Programme on Biomedical Informatics (GRIB), Department of Medicine and Life Sciences, Hospital Del Mar Medical Research Institute, Universitat Pompeu Fabra, Barcelona 08003, Spain","institution_ids":["https://openalex.org/I170486558"]}]}],"institutions":[],"countries_distinct_count":7,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5076446637"],"corresponding_institution_ids":["https://openalex.org/I170486558","https://openalex.org/I4210152232"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.16258723,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"65","issue":"23","first_page":"12764","last_page":"12774"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.6762999892234802,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.6762999892234802,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.07150000333786011,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.020099999383091927,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/simple","display_name":"Simple (philosophy)","score":0.7741000056266785},{"id":"https://openalex.org/keywords/confidentiality","display_name":"Confidentiality","score":0.6894000172615051},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.6223000288009644},{"id":"https://openalex.org/keywords/audit","display_name":"Audit","score":0.5332000255584717},{"id":"https://openalex.org/keywords/point","display_name":"Point (geometry)","score":0.4966000020503998},{"id":"https://openalex.org/keywords/ensemble-forecasting","display_name":"Ensemble forecasting","score":0.42989999055862427},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.41609999537467957},{"id":"https://openalex.org/keywords/ensemble-learning","display_name":"Ensemble learning","score":0.39959999918937683}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7847999930381775},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.7741000056266785},{"id":"https://openalex.org/C71745522","wikidata":"https://www.wikidata.org/wiki/Q2476929","display_name":"Confidentiality","level":2,"score":0.6894000172615051},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.6223000288009644},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.54339998960495},{"id":"https://openalex.org/C199521495","wikidata":"https://www.wikidata.org/wiki/Q181487","display_name":"Audit","level":2,"score":0.5332000255584717},{"id":"https://openalex.org/C28719098","wikidata":"https://www.wikidata.org/wiki/Q44946","display_name":"Point (geometry)","level":2,"score":0.4966000020503998},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4551999866962433},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4429999887943268},{"id":"https://openalex.org/C119898033","wikidata":"https://www.wikidata.org/wiki/Q3433888","display_name":"Ensemble forecasting","level":2,"score":0.42989999055862427},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.41609999537467957},{"id":"https://openalex.org/C45942800","wikidata":"https://www.wikidata.org/wiki/Q245652","display_name":"Ensemble learning","level":2,"score":0.39959999918937683},{"id":"https://openalex.org/C45804977","wikidata":"https://www.wikidata.org/wiki/Q7239673","display_name":"Predictive modelling","level":2,"score":0.36000001430511475},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.3133000135421753},{"id":"https://openalex.org/C2777311342","wikidata":"https://www.wikidata.org/wiki/Q578801","display_name":"Shared space","level":3,"score":0.310699999332428},{"id":"https://openalex.org/C2776542497","wikidata":"https://www.wikidata.org/wiki/Q5266672","display_name":"Development (topology)","level":2,"score":0.2678000032901764},{"id":"https://openalex.org/C114289077","wikidata":"https://www.wikidata.org/wiki/Q3284399","display_name":"Statistical model","level":2,"score":0.2639999985694885},{"id":"https://openalex.org/C83209312","wikidata":"https://www.wikidata.org/wiki/Q1053367","display_name":"Predictive analytics","level":2,"score":0.26350000500679016},{"id":"https://openalex.org/C21080849","wikidata":"https://www.wikidata.org/wiki/Q13611879","display_name":"Data point","level":2,"score":0.25780001282691956},{"id":"https://openalex.org/C2779714256","wikidata":"https://www.wikidata.org/wiki/Q25305062","display_name":"Multiple Models","level":2,"score":0.2522999942302704}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009152","descriptor_name":"Mutagenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009152","descriptor_name":"Mutagenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009152","descriptor_name":"Mutagenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009152","descriptor_name":"Mutagenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c02068","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02068","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c02068?ref=article_openPDF","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:41253527","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41253527","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:pubmedcentral.nih.gov:12690581","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12690581/","pdf_url":null,"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,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.5c02068","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02068","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c02068?ref=article_openPDF","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1240136292","display_name":null,"funder_award_id":"777365","funder_id":"https://openalex.org/F4320326631","funder_display_name":"Innovative Medicines Initiative"}],"funders":[{"id":"https://openalex.org/F4320307781","display_name":"Sanofi","ror":"https://ror.org/027vj4x92"},{"id":"https://openalex.org/F4320326631","display_name":"Innovative Medicines Initiative","ror":"https://ror.org/019af4n30"},{"id":"https://openalex.org/F4320332736","display_name":"Novartis Pharma","ror":"https://ror.org/0013shd50"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4416395682.pdf","grobid_xml":"https://content.openalex.org/works/W4416395682.grobid-xml"},"referenced_works_count":15,"referenced_works":["https://openalex.org/W1508604947","https://openalex.org/W1988037271","https://openalex.org/W2057069496","https://openalex.org/W2164583936","https://openalex.org/W2789869926","https://openalex.org/W3094492244","https://openalex.org/W3106971548","https://openalex.org/W3113037061","https://openalex.org/W3156321802","https://openalex.org/W3189831819","https://openalex.org/W4380610193","https://openalex.org/W4385851145","https://openalex.org/W4386256707","https://openalex.org/W4391684632","https://openalex.org/W4399093973"],"related_works":[],"abstract_inverted_index":{"We":[0],"present":[1],"a":[2,54],"simple":[3,106],"methodology":[4],"that":[5,126],"allows":[6],"the":[7,16,19,22,39,46,67,101,114,118,133],"building":[8],"and":[9,42,60,72,81,90,113,121],"sharing":[10],"of":[11,18,21,38,103],"predictive":[12,64,96],"models":[13,27,65,78],"without":[14],"compromising":[15],"confidentiality":[17],"structures":[20],"training":[23],"series.":[24],"Multiple":[25],"shared":[26,73],"can":[28],"be":[29],"used":[30],"to":[31,75,107,116,124],"obtain":[32],"ensemble":[33,77],"models,":[34],"providing":[35],"better":[36,43],"coverage":[37],"chemical":[40,61],"space":[41],"predictions":[44],"than":[45],"original":[47],"one.":[48],"This":[49],"approach":[50],"is":[51,130],"demonstrated":[52],"in":[53,95],"collaborative":[55],"exercise":[56],"where":[57],"four":[58],"pharmaceutical":[59],"companies":[62],"developed":[63],"for":[66],"AMES":[68],"mutagenicity":[69],"end":[70],"point":[71],"them":[74],"build":[76],"using":[79,109],"logical":[80],"machine":[82],"learning":[83],"algorithms.":[84],"The":[85,98],"results":[86],"were":[87],"systematically":[88],"analyzed":[89],"compared,":[91],"obtaining":[92],"clear":[93],"benefits":[94],"quality.":[97],"method":[99],"has":[100],"advantage":[102],"being":[104],"very":[105],"execute,":[108],"only":[110],"open-source":[111],"software,":[112],"possibility":[115],"audit":[117],"whole":[119],"process":[120],"interchange":[122],"files":[123],"guarantee":[125],"no":[127],"confidential":[128],"information":[129],"exported":[131],"from":[132],"company":[134],"facilities.":[135]},"counts_by_year":[],"updated_date":"2026-08-16T07:02:28.622633","created_date":"2025-11-19T00:00:00"}
