{"id":"https://openalex.org/W4415339077","doi":"https://doi.org/10.1007/s42484-026-00369-6","title":"QCS-ADME: Quantum circuit search for drug property prediction with imbalanced data and regression adaptation","display_name":"QCS-ADME: Quantum circuit search for drug property prediction with imbalanced data and regression adaptation","publication_year":2026,"publication_date":"2026-03-09","ids":{"openalex":"https://openalex.org/W4415339077","doi":"https://doi.org/10.1007/s42484-026-00369-6"},"language":"en","primary_location":{"id":"doi:10.1007/s42484-026-00369-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s42484-026-00369-6","pdf_url":null,"source":{"id":"https://openalex.org/S4210217596","display_name":"Quantum Machine Intelligence","issn_l":"2524-4906","issn":["2524-4906","2524-4914"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Quantum Machine Intelligence","raw_type":"journal-article"},"type":"article","indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2503.01927","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5111227788","display_name":"Kangyu Zheng","orcid":null},"institutions":[{"id":"https://openalex.org/I165799507","display_name":"Rensselaer Polytechnic Institute","ror":"https://ror.org/01rtyzb94","country_code":"US","type":"education","lineage":["https://openalex.org/I165799507"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kangyu Zheng","raw_affiliation_strings":["Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA","institution_ids":["https://openalex.org/I165799507"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003226543","display_name":"Tianfan Fu","orcid":"https://orcid.org/0000-0002-5574-2541"},"institutions":[{"id":"https://openalex.org/I165799507","display_name":"Rensselaer Polytechnic Institute","ror":"https://ror.org/01rtyzb94","country_code":"US","type":"education","lineage":["https://openalex.org/I165799507"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tianfan Fu","raw_affiliation_strings":["Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA","institution_ids":["https://openalex.org/I165799507"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5043067670","display_name":"Zhiding Liang","orcid":"https://orcid.org/0000-0002-7568-0165"},"institutions":[{"id":"https://openalex.org/I165799507","display_name":"Rensselaer Polytechnic Institute","ror":"https://ror.org/01rtyzb94","country_code":"US","type":"education","lineage":["https://openalex.org/I165799507"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhiding Liang","raw_affiliation_strings":["Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Rensselaer Polytechnic Institute, 110 8th St, 12180, Troy, NY, USA","institution_ids":["https://openalex.org/I165799507"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5111227788"],"corresponding_institution_ids":["https://openalex.org/I165799507"],"apc_list":{"value":2390,"currency":"EUR","value_usd":2990},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.00494901,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"8","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9352999925613403,"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/T10682","display_name":"Quantum Computing Algorithms and Architecture","score":0.9352999925613403,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9042999744415283,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/adme","display_name":"ADME","score":0.6819000244140625},{"id":"https://openalex.org/keywords/regression","display_name":"Regression","score":0.538100004196167},{"id":"https://openalex.org/keywords/regression-analysis","display_name":"Regression analysis","score":0.4307999908924103},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.41690000891685486},{"id":"https://openalex.org/keywords/correlation","display_name":"Correlation","score":0.40540000796318054},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.4018999934196472},{"id":"https://openalex.org/keywords/cross-validation","display_name":"Cross-validation","score":0.3659000098705292}],"concepts":[{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.6819000244140625},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5920000076293945},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5449000000953674},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.538100004196167},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5105000138282776},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4487999975681305},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.4307999908924103},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.41690000891685486},{"id":"https://openalex.org/C117220453","wikidata":"https://www.wikidata.org/wiki/Q5172842","display_name":"Correlation","level":2,"score":0.40540000796318054},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.4018999934196472},{"id":"https://openalex.org/C27181475","wikidata":"https://www.wikidata.org/wiki/Q541014","display_name":"Cross-validation","level":2,"score":0.3659000098705292},{"id":"https://openalex.org/C2780980858","wikidata":"https://www.wikidata.org/wiki/Q110022","display_name":"Dual (grammatical number)","level":2,"score":0.32580000162124634},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.31630000472068787},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.3147999942302704},{"id":"https://openalex.org/C12267149","wikidata":"https://www.wikidata.org/wiki/Q282453","display_name":"Support vector machine","level":2,"score":0.3061000108718872},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.3034000098705292},{"id":"https://openalex.org/C45804977","wikidata":"https://www.wikidata.org/wiki/Q7239673","display_name":"Predictive modelling","level":2,"score":0.28529998660087585},{"id":"https://openalex.org/C119043178","wikidata":"https://www.wikidata.org/wiki/Q320723","display_name":"Covariate","level":2,"score":0.27480000257492065},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.27140000462532043}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1007/s42484-026-00369-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s42484-026-00369-6","pdf_url":null,"source":{"id":"https://openalex.org/S4210217596","display_name":"Quantum Machine Intelligence","issn_l":"2524-4906","issn":["2524-4906","2524-4914"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Quantum Machine Intelligence","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2503.01927","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2503.01927","pdf_url":"https://arxiv.org/pdf/2503.01927","source":{"id":"https://openalex.org/S4393918464","display_name":"ArXiv.org","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2503.01927","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2503.01927","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2503.01927","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2503.01927","pdf_url":"https://arxiv.org/pdf/2503.01927","source":{"id":"https://openalex.org/S4393918464","display_name":"ArXiv.org","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-04-04T08:04:53.788161","created_date":"2025-10-19T00:00:00"}
