{"id":"https://openalex.org/W2800344222","doi":"https://doi.org/10.1007/s10822-018-0116-z","title":"Comparing the performance of meta-classifiers\u2014a case study on selected imbalanced data sets relevant for prediction of liver toxicity","display_name":"Comparing the performance of meta-classifiers\u2014a case study on selected imbalanced data sets relevant for prediction of liver toxicity","publication_year":2018,"publication_date":"2018-04-06","ids":{"openalex":"https://openalex.org/W2800344222","doi":"https://doi.org/10.1007/s10822-018-0116-z","mag":"2800344222","pmid":"https://pubmed.ncbi.nlm.nih.gov/29626291"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-018-0116-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-018-0116-z","pdf_url":"https://link.springer.com/content/pdf/10.1007%2Fs10822-018-0116-z.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007%2Fs10822-018-0116-z.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5090000437","display_name":"Sankalp Jain","orcid":"https://orcid.org/0000-0002-9370-9611"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Sankalp Jain","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010411302","display_name":"Eleni Kotsampasakou","orcid":"https://orcid.org/0000-0002-9965-5917"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I141584323","display_name":"University of Hertfordshire","ror":"https://ror.org/0267vjk41","country_code":"GB","type":"education","lineage":["https://openalex.org/I141584323"]}],"countries":["AT","GB"],"is_corresponding":false,"raw_author_name":"Eleni Kotsampasakou","raw_affiliation_strings":["Computational Toxicology Group, CMS, R&D Platform Technology & Science, GSK, Park Road, Ware, Hertfordshire, SG12 0DP, UK","Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Toxicology Group, CMS, R&D Platform Technology & Science, GSK, Park Road, Ware, Hertfordshire, SG12 0DP, UK","institution_ids":["https://openalex.org/I141584323"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5014396881","display_name":"Gerhard F. Ecker","orcid":"https://orcid.org/0000-0003-4209-6883"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Gerhard F. Ecker","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria. gerhard.f.ecker@univie.ac.at","Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria. gerhard.f.ecker@univie.ac.at","institution_ids":["https://openalex.org/I129774422"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5014396881"],"corresponding_institution_ids":["https://openalex.org/I129774422"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":{"value":2890,"currency":"EUR","value_usd":3690},"fwci":5.4002,"has_fulltext":true,"cited_by_count":53,"citation_normalized_percentile":{"value":0.96501026,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"32","issue":"5","first_page":"583","last_page":"590"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11652","display_name":"Imbalanced Data Classification Techniques","score":0.9962999820709229,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T11652","display_name":"Imbalanced Data Classification Techniques","score":0.9962999820709229,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9847000241279602,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.8130552768707275},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.7020530700683594},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.6938798427581787},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6488856077194214},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6000325083732605},{"id":"https://openalex.org/keywords/classifier","display_name":"Classifier (UML)","score":0.5542848110198975},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.4874029755592346},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4343830347061157},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.40339264273643494},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.20654985308647156},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11207315325737}],"concepts":[{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.8130552768707275},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.7020530700683594},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.6938798427581787},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6488856077194214},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6000325083732605},{"id":"https://openalex.org/C95623464","wikidata":"https://www.wikidata.org/wiki/Q1096149","display_name":"Classifier (UML)","level":2,"score":0.5542848110198975},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.4874029755592346},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4343830347061157},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.40339264273643494},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.20654985308647156},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11207315325737},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"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":"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":"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":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002779","descriptor_name":"Cholestasis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D002779","descriptor_name":"Cholestasis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D002779","descriptor_name":"Cholestasis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D002779","descriptor_name":"Cholestasis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008099","descriptor_name":"Liver","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D027362","descriptor_name":"Organic Anion Transport Protein 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D027362","descriptor_name":"Organic Anion Transport Protein 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D027362","descriptor_name":"Organic Anion Transport Protein 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D027362","descriptor_name":"Organic Anion Transport Protein 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D066264","descriptor_name":"Datasets as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066264","descriptor_name":"Datasets as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066264","descriptor_name":"Datasets as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066264","descriptor_name":"Datasets as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1007/s10822-018-0116-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-018-0116-z","pdf_url":"https://link.springer.com/content/pdf/10.1007%2Fs10822-018-0116-z.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:29626291","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29626291","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 computer-aided molecular design","raw_type":null},{"id":"pmh:info:fedora/oai:univie.ac.at:o:955592","is_oa":true,"landing_page_url":"https://phaidra.univie.ac.at/o:955592","pdf_url":null,"source":{"id":"https://openalex.org/S4306401993","display_name":"Phaidra (Universit\u00e4t Wien)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I129774422","host_organization_name":"University of Vienna","host_organization_lineage":["https://openalex.org/I129774422"],"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":"ISSN:0920-654X","raw_type":"article"},{"id":"pmh:oai:europepmc.org:4851004","is_oa":true,"landing_page_url":"http://europepmc.org/pmc/articles/PMC5919997","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:5919997","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5919997","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 Comput Aided Mol Des","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-018-0116-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-018-0116-z","pdf_url":"https://link.springer.com/content/pdf/10.1007%2Fs10822-018-0116-z.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.6399999856948853,"id":"https://metadata.un.org/sdg/15","display_name":"Life in Land"}],"awards":[{"id":"https://openalex.org/G2266205452","display_name":null,"funder_award_id":"SFB35","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"},{"id":"https://openalex.org/G2284059888","display_name":null,"funder_award_id":"F03502","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"},{"id":"https://openalex.org/G5053374963","display_name":"Molecular Drug Targets","funder_award_id":"W1232","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2800344222.pdf","grobid_xml":"https://content.openalex.org/works/W2800344222.grobid-xml"},"referenced_works_count":43,"referenced_works":["https://openalex.org/W46659105","https://openalex.org/W169052826","https://openalex.org/W182206999","https://openalex.org/W1533664488","https://openalex.org/W1797580880","https://openalex.org/W1984428215","https://openalex.org/W1990399577","https://openalex.org/W1991469460","https://openalex.org/W1999118725","https://openalex.org/W2012035409","https://openalex.org/W2022283419","https://openalex.org/W2026877895","https://openalex.org/W2039618891","https://openalex.org/W2053724458","https://openalex.org/W2058732827","https://openalex.org/W2061562630","https://openalex.org/W2086729168","https://openalex.org/W2088059023","https://openalex.org/W2099454382","https://openalex.org/W2102136872","https://openalex.org/W2103678961","https://openalex.org/W2106842132","https://openalex.org/W2118978333","https://openalex.org/W2125335678","https://openalex.org/W2133990480","https://openalex.org/W2135248138","https://openalex.org/W2142572836","https://openalex.org/W2145578524","https://openalex.org/W2147479689","https://openalex.org/W2148143831","https://openalex.org/W2154706222","https://openalex.org/W2159887157","https://openalex.org/W2318981334","https://openalex.org/W2323111759","https://openalex.org/W2341390137","https://openalex.org/W2465442408","https://openalex.org/W2515889482","https://openalex.org/W2582743722","https://openalex.org/W2587017960","https://openalex.org/W2614183994","https://openalex.org/W2700200406","https://openalex.org/W2911964244","https://openalex.org/W2912934387"],"related_works":["https://openalex.org/W2363355859","https://openalex.org/W2889302474","https://openalex.org/W2981877337","https://openalex.org/W2003657145","https://openalex.org/W3203938600","https://openalex.org/W4286910063","https://openalex.org/W2163707935","https://openalex.org/W83146503","https://openalex.org/W2169074127","https://openalex.org/W202723009"],"abstract_inverted_index":{"Cheminformatics":[0],"datasets":[1,91,122],"used":[2,86],"in":[3,22,25,49,120,150,186],"classification":[4],"problems,":[5],"especially":[6],"those":[7],"related":[8,108],"to":[9,37,56,78,109,166],"biological":[10],"or":[11,96],"physicochemical":[12],"properties,":[13],"are":[14,35,93],"often":[15],"imbalanced.":[16],"This":[17],"presents":[18],"a":[19,47,66],"major":[20],"challenge":[21],"development":[23,142],"of":[24,52,68,71,100,137],"silico":[26],"prediction":[27],"models,":[28],"as":[29,87],"the":[30,50,60,69,168,173],"traditional":[31],"machine":[32],"learning":[33],"algorithms":[34,54],"known":[36],"work":[38],"best":[39,169],"on":[40,154],"balanced":[41,188],"datasets.":[42],"The":[43,117],"class":[44],"imbalance":[45,118],"introduces":[46],"bias":[48],"performance":[51,70,147],"these":[53,121],"due":[55],"their":[57,76,146],"preference":[58],"towards":[59],"majority":[61],"class.":[62],"Here,":[63],"we":[64],"present":[65],"comparison":[67],"seven":[72],"different":[73,90,135],"meta-classifiers":[74],"for":[75,114,128,140],"ability":[77],"handle":[79],"imbalanced":[80],"datasets,":[81],"whereby":[82],"Random":[83],"Forest":[84],"is":[85],"base-classifier.":[88],"Four":[89],"that":[92],"directly":[94],"(cholestasis)":[95],"indirectly":[97],"(via":[98],"inhibition":[99],"organic":[101],"anion":[102],"transporting":[103],"polypeptide":[104],"1B1":[105],"and":[106,126,130,145,153,162,177],"1B3)":[107],"liver":[110],"toxicity":[111],"were":[112,143,164],"chosen":[113],"this":[115],"purpose.":[116],"ratio":[119],"ranges":[123],"between":[124],"4:1":[125],"20:1":[127],"negative":[129],"positive":[131],"classes,":[132],"respectively.":[133],"Three":[134],"sets":[136],"molecular":[138],"descriptors":[139],"model":[141],"used,":[144],"was":[148],"assessed":[149],"10-fold":[151],"cross-validation":[152],"an":[155],"independent":[156],"validation":[157],"set.":[158],"Stratified":[159,183],"bagging,":[160],"MetaCost":[161,176],"CostSensitiveClassifier":[163,178],"found":[165],"be":[167],"performing":[170],"among":[171],"all":[172],"methods.":[174],"While":[175],"provided":[179],"better":[180],"sensitivity":[181],"values,":[182],"Bagging":[184],"resulted":[185],"high":[187],"accuracies.":[189]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":13},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":1}],"updated_date":"2026-07-02T09:51:11.867554","created_date":"2025-10-10T00:00:00"}
