{"id":"https://openalex.org/W2906083215","doi":"https://doi.org/10.1186/s12859-018-2544-0","title":"Predicting adverse drug reactions through interpretable deep learning framework","display_name":"Predicting adverse drug reactions through interpretable deep learning framework","publication_year":2018,"publication_date":"2018-12-01","ids":{"openalex":"https://openalex.org/W2906083215","doi":"https://doi.org/10.1186/s12859-018-2544-0","mag":"2906083215","pmid":"https://pubmed.ncbi.nlm.nih.gov/30591036"},"language":"en","primary_location":{"id":"doi:10.1186/s12859-018-2544-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2544-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-018-2544-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-018-2544-0","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5001532090","display_name":"Sanjoy Kumer Dey","orcid":"https://orcid.org/0000-0003-1236-7232"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sanjoy Dey","raw_affiliation_strings":["Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA","institution_ids":["https://openalex.org/I1341412227"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047001057","display_name":"Heng Luo","orcid":"https://orcid.org/0000-0001-5192-8878"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Heng Luo","raw_affiliation_strings":["Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA","institution_ids":["https://openalex.org/I1341412227"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062643837","display_name":"Achille Fokoue","orcid":"https://orcid.org/0000-0003-1137-1344"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Achille Fokoue","raw_affiliation_strings":["Cognitive Computing, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cognitive Computing, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA","institution_ids":["https://openalex.org/I1341412227"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040300380","display_name":"Jianying Hu","orcid":"https://orcid.org/0000-0001-7753-886X"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jianying Hu","raw_affiliation_strings":["Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA","institution_ids":["https://openalex.org/I1341412227"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050360222","display_name":"Ping Zhang","orcid":"https://orcid.org/0000-0002-4601-0779"},"institutions":[{"id":"https://openalex.org/I1341412227","display_name":"IBM (United States)","ror":"https://ror.org/05hh8d621","country_code":"US","type":"company","lineage":["https://openalex.org/I1341412227"]},{"id":"https://openalex.org/I4210114115","display_name":"IBM Research - Thomas J. Watson Research Center","ror":"https://ror.org/0265w5591","country_code":"US","type":"facility","lineage":["https://openalex.org/I1341412227","https://openalex.org/I4210114115"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Ping Zhang","raw_affiliation_strings":["Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA. mail.pingzhang@gmail.com","Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA. mail.pingzhang@gmail.com","institution_ids":["https://openalex.org/I1341412227","https://openalex.org/I4210114115"]},{"raw_affiliation_string":"Center for Computational Health, IBM T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, USA","institution_ids":["https://openalex.org/I1341412227"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5050360222"],"corresponding_institution_ids":["https://openalex.org/I1341412227","https://openalex.org/I4210114115"],"apc_list":{"value":1690,"currency":"GBP","value_usd":2072},"apc_paid":{"value":1690,"currency":"GBP","value_usd":2072},"fwci":11.7375,"has_fulltext":true,"cited_by_count":166,"citation_normalized_percentile":{"value":0.98987342,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"19","issue":"S21","first_page":"476","last_page":"476"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9538999795913696,"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":0.9538999795913696,"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/T11943","display_name":"Pharmacovigilance and Adverse Drug Reactions","score":0.024900000542402267,"subfield":{"id":"https://openalex.org/subfields/3005","display_name":"Toxicology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.0038999998942017555,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6689311265945435},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6491236686706543},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5907083749771118},{"id":"https://openalex.org/keywords/drug-reaction","display_name":"Drug reaction","score":0.5563840270042419},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.5446375012397766},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.4950253367424011},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.4748837351799011},{"id":"https://openalex.org/keywords/fingerprint","display_name":"Fingerprint (computing)","score":0.4639664888381958},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.45736536383628845},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.4498920142650604},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.4285731911659241},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.22597426176071167},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.13924816250801086}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6689311265945435},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6491236686706543},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5907083749771118},{"id":"https://openalex.org/C2993432071","wikidata":"https://www.wikidata.org/wiki/Q45959","display_name":"Drug reaction","level":3,"score":0.5563840270042419},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.5446375012397766},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4950253367424011},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.4748837351799011},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.4639664888381958},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.45736536383628845},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.4498920142650604},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.4285731911659241},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.22597426176071167},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.13924816250801086},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001416","descriptor_name":"Back Pain","qualifier_ui":"Q000628","qualifier_name":"therapy","is_major_topic":false},{"descriptor_ui":"D001416","descriptor_name":"Back Pain","qualifier_ui":"Q000628","qualifier_name":"therapy","is_major_topic":false},{"descriptor_ui":"D001416","descriptor_name":"Back Pain","qualifier_ui":"Q000628","qualifier_name":"therapy","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009336","descriptor_name":"Necrosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009336","descriptor_name":"Necrosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009336","descriptor_name":"Necrosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1186/s12859-018-2544-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2544-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-018-2544-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:30591036","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30591036","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":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:cbe613ee52714d249333847107191d49","is_oa":true,"landing_page_url":"https://doaj.org/article/cbe613ee52714d249333847107191d49","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,"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":"BMC Bioinformatics, Vol 19, Iss S21, Pp 1-13 (2018)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:5290107","is_oa":true,"landing_page_url":"http://europepmc.org/pmc/articles/PMC6300887","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:6300887","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6300887","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":"BMC Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s12859-018-2544-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2544-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-018-2544-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5899999737739563,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2906083215.pdf","grobid_xml":"https://content.openalex.org/works/W2906083215.grobid-xml"},"referenced_works_count":50,"referenced_works":["https://openalex.org/W11344490","https://openalex.org/W1480376833","https://openalex.org/W1493217831","https://openalex.org/W1532325895","https://openalex.org/W1565377632","https://openalex.org/W1862448690","https://openalex.org/W1955951250","https://openalex.org/W1966454287","https://openalex.org/W1971387816","https://openalex.org/W1980409763","https://openalex.org/W1983478747","https://openalex.org/W1988037271","https://openalex.org/W2000127653","https://openalex.org/W2014247325","https://openalex.org/W2035977761","https://openalex.org/W2039594635","https://openalex.org/W2040135138","https://openalex.org/W2044542784","https://openalex.org/W2044834685","https://openalex.org/W2046589863","https://openalex.org/W2049946556","https://openalex.org/W2070789802","https://openalex.org/W2085752173","https://openalex.org/W2106494973","https://openalex.org/W2107516065","https://openalex.org/W2119002393","https://openalex.org/W2135306073","https://openalex.org/W2142572836","https://openalex.org/W2144354855","https://openalex.org/W2144544802","https://openalex.org/W2153972688","https://openalex.org/W2155764317","https://openalex.org/W2156023253","https://openalex.org/W2163605009","https://openalex.org/W2168616216","https://openalex.org/W2173027866","https://openalex.org/W2177317049","https://openalex.org/W2204599701","https://openalex.org/W2323328911","https://openalex.org/W2482589566","https://openalex.org/W2529996553","https://openalex.org/W2595724883","https://openalex.org/W2621221322","https://openalex.org/W2804294746","https://openalex.org/W2964308564","https://openalex.org/W3098269892","https://openalex.org/W4213009331","https://openalex.org/W6607311024","https://openalex.org/W6629329278","https://openalex.org/W6633894697"],"related_works":["https://openalex.org/W4375867731","https://openalex.org/W3037187668","https://openalex.org/W2611989081","https://openalex.org/W4234772502","https://openalex.org/W2339806289","https://openalex.org/W2731899572","https://openalex.org/W2380685755","https://openalex.org/W4230611425","https://openalex.org/W2368132270","https://openalex.org/W4294635752"],"abstract_inverted_index":{"BACKGROUND:":[0],"Adverse":[1],"drug":[2,26,33,107,157],"reactions":[3,9],"(ADRs)":[4],"are":[5,115],"unintended":[6],"and":[7,17,35,58,86,120,137,151],"harmful":[8],"caused":[10],"by":[11],"normal":[12],"uses":[13],"of":[14,24,77],"drugs.":[15],"Predicting":[16],"preventing":[18],"ADRs":[19,57,66,119],"in":[20,100],"the":[21,25,60,69,75,92],"early":[22],"stage":[23],"development":[27],"pipeline":[28],"can":[29,54,152],"help":[30,154],"to":[31,155],"enhance":[32],"safety":[34,158],"reduce":[36],"financial":[37],"costs.":[38],"METHODS:":[39],"In":[40],"this":[41],"paper,":[42],"we":[43,109],"developed":[44],"machine":[45],"learning":[46,51,94,130],"models":[47,85],"including":[48],"a":[49,141],"deep":[50,93,129],"framework":[52],"which":[53],"simultaneously":[55],"predict":[56],"identify":[59],"molecular":[61,112,149],"substructures":[62,70,113],"associated":[63,116],"with":[64,80,117,132],"those":[65],"without":[67],"defining":[68],"a-priori.":[71],"RESULTS:":[72],"We":[73],"evaluated":[74],"performance":[76],"our":[78],"model":[79,95,131],"ten":[81],"different":[82],"state-of-the-art":[83],"fingerprint":[84],"found":[87],"that":[88,114],"neural":[89],"fingerprints":[90],"from":[91],"outperformed":[96],"all":[97],"other":[98],"methods":[99],"predicting":[101],"ADRs.":[102],"Via":[103],"feature":[104,133],"analysis":[105],"on":[106],"structures,":[108],"identified":[110],"important":[111],"specific":[118],"assessed":[121],"their":[122],"associations":[123],"via":[124],"statistical":[125,138],"analysis.":[126],"CONCLUSIONS:":[127],"The":[128],"analysis,":[134],"substructure":[135],"identification,":[136],"assessment":[139],"provides":[140],"promising":[142],"solution":[143],"for":[144],"identifying":[145],"risky":[146],"components":[147],"within":[148],"structures":[150],"potentially":[153],"improve":[156],"evaluation.":[159]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":18},{"year":2024,"cited_by_count":27},{"year":2023,"cited_by_count":22},{"year":2022,"cited_by_count":28},{"year":2021,"cited_by_count":31},{"year":2020,"cited_by_count":18},{"year":2019,"cited_by_count":13},{"year":2017,"cited_by_count":1}],"updated_date":"2026-07-15T18:14:33.161393","created_date":"2025-10-10T00:00:00"}