{"id":"https://openalex.org/W3133923514","doi":"https://doi.org/10.1093/bioinformatics/btab132","title":"Proteo-chemometrics interaction fingerprints of protein\u2013ligand complexes predict binding affinity","display_name":"Proteo-chemometrics interaction fingerprints of protein\u2013ligand complexes predict binding affinity","publication_year":2021,"publication_date":"2021-02-25","ids":{"openalex":"https://openalex.org/W3133923514","doi":"https://doi.org/10.1093/bioinformatics/btab132","mag":"3133923514","pmid":"https://pubmed.ncbi.nlm.nih.gov/33650636"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btab132","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btab132","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5032665783","display_name":"Debby D. Wang","orcid":"https://orcid.org/0000-0002-3755-8943"},"institutions":[{"id":"https://openalex.org/I148128674","display_name":"University of Shanghai for Science and Technology","ror":"https://ror.org/00ay9v204","country_code":"CN","type":"education","lineage":["https://openalex.org/I148128674"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Debby D. Wang","raw_affiliation_strings":["Institute of Medical and Information Engineering, School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology , Shanghai 200093, China"],"affiliations":[{"raw_affiliation_string":"Institute of Medical and Information Engineering, School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology , Shanghai 200093, China","institution_ids":["https://openalex.org/I148128674"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013151488","display_name":"Haoran Xie","orcid":"https://orcid.org/0000-0003-0965-3617"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Haoran Xie","raw_affiliation_strings":["Department of Computing and Decision Sciences, Lingnan University , Tuen Mun, Hong Kong"],"affiliations":[{"raw_affiliation_string":"Department of Computing and Decision Sciences, Lingnan University , Tuen Mun, Hong Kong","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100644375","display_name":"Hong Yan","orcid":"https://orcid.org/0000-0001-9661-3095"},"institutions":[{"id":"https://openalex.org/I168719708","display_name":"City University of Hong Kong","ror":"https://ror.org/03q8dnn23","country_code":"HK","type":"education","lineage":["https://openalex.org/I168719708"]}],"countries":["HK"],"is_corresponding":false,"raw_author_name":"Hong Yan","raw_affiliation_strings":["Department of Electrical Engineering, City University of Hong Kong , Kowloon, Hong Kong"],"affiliations":[{"raw_affiliation_string":"Department of Electrical Engineering, City University of Hong Kong , Kowloon, Hong Kong","institution_ids":["https://openalex.org/I168719708"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5032665783"],"corresponding_institution_ids":["https://openalex.org/I148128674"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":2.0716,"has_fulltext":false,"cited_by_count":24,"citation_normalized_percentile":{"value":0.88330893,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"37","issue":"17","first_page":"2570","last_page":"2579"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9940000176429749,"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"}},{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9824000000953674,"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/chemometrics","display_name":"Chemometrics","score":0.8133070468902588},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6171974539756775},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4967218041419983},{"id":"https://openalex.org/keywords/binding-affinities","display_name":"Binding affinities","score":0.48712587356567383},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.4742238521575928},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.46301811933517456},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4626724421977997},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.45319992303848267},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.42340636253356934},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4116584062576294},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3799055516719818},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.323971152305603},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2755672335624695},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14388948678970337},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.0684814453125}],"concepts":[{"id":"https://openalex.org/C151304367","wikidata":"https://www.wikidata.org/wiki/Q910067","display_name":"Chemometrics","level":2,"score":0.8133070468902588},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6171974539756775},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4967218041419983},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.48712587356567383},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.4742238521575928},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.46301811933517456},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4626724421977997},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.45319992303848267},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.42340636253356934},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4116584062576294},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3799055516719818},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.323971152305603},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2755672335624695},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14388948678970337},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0684814453125},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btab132","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btab132","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:33650636","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33650636","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":"Bioinformatics (Oxford, England)","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G4946508935","display_name":null,"funder_award_id":"9610460","funder_id":"https://openalex.org/F4320309893","funder_display_name":"City University of Hong Kong"}],"funders":[{"id":"https://openalex.org/F4320309893","display_name":"City University of Hong Kong","ror":"https://ror.org/03q8dnn23"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1970756432","https://openalex.org/W1974324284","https://openalex.org/W1985748743","https://openalex.org/W1986240377","https://openalex.org/W1988037271","https://openalex.org/W2009313526","https://openalex.org/W2009908553","https://openalex.org/W2021444228","https://openalex.org/W2028649050","https://openalex.org/W2038702914","https://openalex.org/W2049185580","https://openalex.org/W2055000402","https://openalex.org/W2059885812","https://openalex.org/W2076779488","https://openalex.org/W2092285329","https://openalex.org/W2098971704","https://openalex.org/W2106440817","https://openalex.org/W2111078532","https://openalex.org/W2112804624","https://openalex.org/W2121895929","https://openalex.org/W2130479394","https://openalex.org/W2143482176","https://openalex.org/W2146465875","https://openalex.org/W2148512505","https://openalex.org/W2202155158","https://openalex.org/W2594183968","https://openalex.org/W2781821160","https://openalex.org/W2889677957","https://openalex.org/W3037203467","https://openalex.org/W4252523328","https://openalex.org/W6780064700"],"related_works":["https://openalex.org/W2336068299","https://openalex.org/W4223889031","https://openalex.org/W2171830166","https://openalex.org/W2122952160","https://openalex.org/W3117501106","https://openalex.org/W2021630848","https://openalex.org/W2098840560","https://openalex.org/W4235193150","https://openalex.org/W3133923514","https://openalex.org/W2547031344"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}