{"id":"https://openalex.org/W4385264949","doi":"https://doi.org/10.1021/acs.jcim.3c00687","title":"Machine Learning-Based Prediction of Drug-Induced Hepatotoxicity: An OvA-QSTR Approach","display_name":"Machine Learning-Based Prediction of Drug-Induced Hepatotoxicity: An OvA-QSTR Approach","publication_year":2023,"publication_date":"2023-07-26","ids":{"openalex":"https://openalex.org/W4385264949","doi":"https://doi.org/10.1021/acs.jcim.3c00687","pmid":"https://pubmed.ncbi.nlm.nih.gov/37494070"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00687","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00687","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":true,"oa_status":"green","oa_url":"https://hdl.handle.net/11492/7893","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5078418847","display_name":"Feyza Kelleci\u0307 \u00c7eli\u0307k","orcid":"https://orcid.org/0000-0003-4874-6648"},"institutions":[{"id":"https://openalex.org/I46464968","display_name":"Karamano\u011flu Mehmetbey University","ror":"https://ror.org/037vvf096","country_code":"TR","type":"education","lineage":["https://openalex.org/I46464968"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Feyza Kelleci\u0307 \u00c7eli\u0307k","raw_affiliation_strings":["Vocational School of Health Services, Karamano\u011flu Mehmetbey University, 70200 Karaman, Turkey"],"raw_orcid":"https://orcid.org/0000-0003-4874-6648","affiliations":[{"raw_affiliation_string":"Vocational School of Health Services, Karamano\u011flu Mehmetbey University, 70200 Karaman, Turkey","institution_ids":["https://openalex.org/I46464968"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078845256","display_name":"G\u00fcl Karaduman","orcid":"https://orcid.org/0000-0002-2776-759X"},"institutions":[{"id":"https://openalex.org/I189196454","display_name":"The University of Texas at Arlington","ror":"https://ror.org/019kgqr73","country_code":"US","type":"education","lineage":["https://openalex.org/I189196454"]},{"id":"https://openalex.org/I46464968","display_name":"Karamano\u011flu Mehmetbey University","ror":"https://ror.org/037vvf096","country_code":"TR","type":"education","lineage":["https://openalex.org/I46464968"]}],"countries":["TR","US"],"is_corresponding":true,"raw_author_name":"G\u00fcl Karaduman","raw_affiliation_strings":["Department of Mathematics, University of Texas at Arlington, Arlington, Texas 76019-0408, United States","Vocational School of Health Services, Karamano\u011flu Mehmetbey University, 70200 Karaman, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, University of Texas at Arlington, Arlington, Texas 76019-0408, United States","institution_ids":["https://openalex.org/I189196454"]},{"raw_affiliation_string":"Vocational School of Health Services, Karamano\u011flu Mehmetbey University, 70200 Karaman, Turkey","institution_ids":["https://openalex.org/I46464968"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5078418847","https://openalex.org/A5078845256"],"corresponding_institution_ids":["https://openalex.org/I189196454","https://openalex.org/I46464968"],"apc_list":null,"apc_paid":null,"fwci":3.8636,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.93642067,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"63","issue":"15","first_page":"4602","last_page":"4614"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11465","display_name":"Drug-Induced Hepatotoxicity and Protection","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11465","display_name":"Drug-Induced Hepatotoxicity and Protection","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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/T10351","display_name":"Liver Disease Diagnosis and Treatment","score":0.9907000064849854,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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/liver-damage","display_name":"Liver damage","score":0.6810635924339294},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6639354228973389},{"id":"https://openalex.org/keywords/liver-injury","display_name":"Liver injury","score":0.5468912720680237},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.5232352614402771},{"id":"https://openalex.org/keywords/toxicity","display_name":"Toxicity","score":0.5216796398162842},{"id":"https://openalex.org/keywords/adverse-effect","display_name":"Adverse effect","score":0.4249260127544403},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.4174143373966217},{"id":"https://openalex.org/keywords/toxicology","display_name":"Toxicology","score":0.34175026416778564},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.24637481570243835},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.20933422446250916}],"concepts":[{"id":"https://openalex.org/C3018561737","wikidata":"https://www.wikidata.org/wiki/Q929737","display_name":"Liver damage","level":2,"score":0.6810635924339294},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6639354228973389},{"id":"https://openalex.org/C2776637226","wikidata":"https://www.wikidata.org/wiki/Q6658207","display_name":"Liver injury","level":2,"score":0.5468912720680237},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.5232352614402771},{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.5216796398162842},{"id":"https://openalex.org/C197934379","wikidata":"https://www.wikidata.org/wiki/Q2047938","display_name":"Adverse effect","level":2,"score":0.4249260127544403},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.4174143373966217},{"id":"https://openalex.org/C33070731","wikidata":"https://www.wikidata.org/wiki/Q7218","display_name":"Toxicology","level":1,"score":0.34175026416778564},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.24637481570243835},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.20933422446250916}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","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":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056486","descriptor_name":"Chemical and Drug Induced Liver Injury","qualifier_ui":"Q000209","qualifier_name":"etiology","is_major_topic":true},{"descriptor_ui":"D056486","descriptor_name":"Chemical and Drug Induced Liver Injury","qualifier_ui":"Q000209","qualifier_name":"etiology","is_major_topic":true},{"descriptor_ui":"D056486","descriptor_name":"Chemical and Drug Induced Liver Injury","qualifier_ui":"Q000209","qualifier_name":"etiology","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},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c00687","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00687","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:37494070","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37494070","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:earsiv.kmu.edu.tr:11492/7893","is_oa":true,"landing_page_url":"https://hdl.handle.net/11492/7893","pdf_url":null,"source":{"id":"https://openalex.org/S4377196479","display_name":"eAr\u015fiv - KM\u00dc (Karamano\u011flu Mehmetbey University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I46464968","host_organization_name":"Karamano\u011flu Mehmetbey University","host_organization_lineage":["https://openalex.org/I46464968"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"article"}],"best_oa_location":{"id":"pmh:oai:earsiv.kmu.edu.tr:11492/7893","is_oa":true,"landing_page_url":"https://hdl.handle.net/11492/7893","pdf_url":null,"source":{"id":"https://openalex.org/S4377196479","display_name":"eAr\u015fiv - KM\u00dc (Karamano\u011flu Mehmetbey University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I46464968","host_organization_name":"Karamano\u011flu Mehmetbey University","host_organization_lineage":["https://openalex.org/I46464968"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.8700000047683716,"display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W58838719","https://openalex.org/W118028432","https://openalex.org/W1817561967","https://openalex.org/W1839251276","https://openalex.org/W1969178306","https://openalex.org/W1999165926","https://openalex.org/W2033757486","https://openalex.org/W2041785902","https://openalex.org/W2047718984","https://openalex.org/W2052396986","https://openalex.org/W2075221169","https://openalex.org/W2089367555","https://openalex.org/W2105917975","https://openalex.org/W2116459155","https://openalex.org/W2159887157","https://openalex.org/W2164914937","https://openalex.org/W2242464395","https://openalex.org/W2587017960","https://openalex.org/W2599336749","https://openalex.org/W2796339269","https://openalex.org/W2885859081","https://openalex.org/W2911964244","https://openalex.org/W2939321068","https://openalex.org/W3001179699","https://openalex.org/W3008638832","https://openalex.org/W3021370268","https://openalex.org/W3033966854","https://openalex.org/W3097145107","https://openalex.org/W3141704164","https://openalex.org/W4205406734","https://openalex.org/W4237427833","https://openalex.org/W4292616422","https://openalex.org/W4312123492","https://openalex.org/W4366602650"],"related_works":["https://openalex.org/W2088620963","https://openalex.org/W2402743643","https://openalex.org/W4313063054","https://openalex.org/W2170271130","https://openalex.org/W2366254154","https://openalex.org/W2394064515","https://openalex.org/W4229794803","https://openalex.org/W1972850845","https://openalex.org/W4379197147","https://openalex.org/W4312209288"],"abstract_inverted_index":{"Drug-induced":[0],"hepatotoxicity,":[1],"also":[2],"known":[3],"as":[4,22],"drug-induced":[5],"liver":[6,53,81,118,139,206],"injury":[7],"(DILI),":[8],"is":[9,20],"among":[10],"the":[11,25,39,99,132,181,185],"possible":[12],"adverse":[13],"effects":[14],"of":[15,24,42,120,131,156,204],"pharmacotherapy.":[16],"This":[17,94],"clinical":[18],"condition":[19],"accepted":[21],"one":[23],"factors":[26],"leading":[27],"to":[28,50,78,91,115,193],"patient":[29],"mortality":[30],"and":[31,44,46,57,76,101,108,209],"morbidity.":[32],"The":[33,61,83,169],"LiverTox":[34,133],"database":[35,62],"was":[36,165],"built":[37],"by":[38,173],"National":[40],"Institute":[41],"Diabetes":[43],"Digestive":[45],"Kidney":[47],"Diseases":[48],"(NIDDK)":[49],"predict":[51,116,129],"potential":[52,117,141,208],"damage":[54,85,119,207],"from":[55,88,161,167,191],"medications":[56],"take":[58],"appropriate":[59],"precautions.":[60],"has":[63],"classified":[64],"medicines":[65],"into":[66,144],"seven":[67],"risk":[68,86,134,202,214],"categories":[69],"(A,":[70],"B,":[71],"C,":[72],"D,":[73],"E,":[74],"E*,":[75],"X)":[77],"avoid":[79],"medicine-induced":[80],"toxicity.":[82],"hepatic":[84],"decreases":[87],"group":[89,92],"A":[90],"E.":[93],"study":[95,113],"did":[96],"not":[97],"include":[98],"E*":[100],"X":[102],"classes":[103],"because":[104],"they":[105],"contained":[106],"unverified":[107],"unknown":[109,138],"data":[110],"groups.":[111],"Our":[112,153,195],"aims":[114],"new":[121],"drug":[122,159],"molecules":[123,160],"without":[124],"using":[125,145],"experimental":[126],"animals.":[127],"We":[128],"which":[130],"category":[135],"drugs":[136],"with":[137,184],"toxicity":[140],"will":[142],"fall":[143],"our":[146],"one-vs-all":[147],"quantitative":[148],"structure-toxicity":[149],"relationship":[150],"(OvA-QSTR)":[151],"model.":[152],"dataset,":[154],"consisting":[155],"678":[157],"organic":[158],"different":[162,213],"pharmacological":[163],"classes,":[164],"collected":[166],"LiverTox.":[168],"OvA-QSTR":[170,196],"models":[171,197],"implemented":[172],"Bayesian":[174],"Network":[175],"(BayesNet)":[176],"performed":[177],"well":[178],"based":[179],"on":[180],"selected":[182],"descriptors,":[183],"precision-recall":[186],"curve":[187],"(PRC)":[188],"areas":[189],"ranging":[190],"0.718":[192],"0.869.":[194],"provide":[198],"a":[199],"reliable":[200],"premarketing":[201],"evaluation":[203],"pharmaceutical-induced":[205],"offer":[210],"predictions":[211],"for":[212],"levels":[215],"in":[216],"DILI.":[217]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":1}],"updated_date":"2026-04-25T08:17:42.794288","created_date":"2023-07-27T00:00:00"}
