{"id":"https://openalex.org/W3138412820","doi":"https://doi.org/10.1109/tcbb.2021.3069040","title":"Biomedical Data and Deep Learning Computational Models for Predicting Compound-Protein Relations","display_name":"Biomedical Data and Deep Learning Computational Models for Predicting Compound-Protein Relations","publication_year":2021,"publication_date":"2021-03-26","ids":{"openalex":"https://openalex.org/W3138412820","doi":"https://doi.org/10.1109/tcbb.2021.3069040","mag":"3138412820","pmid":"https://pubmed.ncbi.nlm.nih.gov/33769935"},"language":"en","primary_location":{"id":"doi:10.1109/tcbb.2021.3069040","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tcbb.2021.3069040","pdf_url":null,"source":{"id":"https://openalex.org/S36029991","display_name":"IEEE Transactions on Computational Biology and Bioinformatics","issn_l":"1545-5963","issn":["1545-5963","1557-9964","2374-0043","2998-4165"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE/ACM Transactions on Computational Biology and Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","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/A5001452497","display_name":"Qichang Zhao","orcid":"https://orcid.org/0000-0002-8319-9793"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qichang Zhao","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004356703","display_name":"Mengyun Yang","orcid":"https://orcid.org/0000-0002-2703-533X"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]},{"id":"https://openalex.org/I206324368","display_name":"Shaoyang University","ror":"https://ror.org/03fx09x73","country_code":"CN","type":"education","lineage":["https://openalex.org/I206324368"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mengyun Yang","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China","School of Science, Shaoyang University, Shaoyang, China"],"raw_orcid":"https://orcid.org/0000-0002-2703-533X","affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"School of Science, Shaoyang University, Shaoyang, China","institution_ids":["https://openalex.org/I206324368"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077000029","display_name":"Zhongjian Cheng","orcid":"https://orcid.org/0000-0002-7667-2458"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhongjian Cheng","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079316675","display_name":"Yaohang Li","orcid":"https://orcid.org/0000-0003-0178-1876"},"institutions":[{"id":"https://openalex.org/I81365321","display_name":"Old Dominion University","ror":"https://ror.org/04zjtrb98","country_code":"US","type":"education","lineage":["https://openalex.org/I81365321"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yaohang Li","raw_affiliation_strings":["Department of Computer Science, Old Dominion University, Norfolk, VA, USA"],"raw_orcid":"https://orcid.org/0000-0003-0178-1876","affiliations":[{"raw_affiliation_string":"Department of Computer Science, Old Dominion University, Norfolk, VA, USA","institution_ids":["https://openalex.org/I81365321"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100438360","display_name":"Jianxin Wang","orcid":"https://orcid.org/0000-0003-1516-0480"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianxin Wang","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China"],"raw_orcid":"https://orcid.org/0000-0003-1516-0480","affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2045,"currency":"USD","value_usd":2045},"apc_paid":null,"fwci":3.0744,"has_fulltext":false,"cited_by_count":39,"citation_normalized_percentile":{"value":0.92288143,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"19","issue":"4","first_page":"2092","last_page":"2110"},"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":0.9817000031471252,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.972000002861023,"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/deep-learning","display_name":"Deep learning","score":0.7887847423553467},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.7301502823829651},{"id":"https://openalex.org/keywords/biomedicine","display_name":"Biomedicine","score":0.7072789669036865},{"id":"https://openalex.org/keywords/feature-engineering","display_name":"Feature engineering","score":0.647748589515686},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6241798996925354},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.618651270866394},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.5965150594711304},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.53052818775177},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.49761655926704407},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.47006019949913025},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.20320090651512146},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.1774255335330963},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11833402514457703}],"concepts":[{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.7887847423553467},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.7301502823829651},{"id":"https://openalex.org/C66782513","wikidata":"https://www.wikidata.org/wiki/Q864601","display_name":"Biomedicine","level":2,"score":0.7072789669036865},{"id":"https://openalex.org/C2778827112","wikidata":"https://www.wikidata.org/wiki/Q22245680","display_name":"Feature engineering","level":3,"score":0.647748589515686},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6241798996925354},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.618651270866394},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5965150594711304},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.53052818775177},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.49761655926704407},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.47006019949913025},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.20320090651512146},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.1774255335330963},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11833402514457703},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","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":"D000077321","descriptor_name":"Deep Learning","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":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1109/tcbb.2021.3069040","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tcbb.2021.3069040","pdf_url":null,"source":{"id":"https://openalex.org/S36029991","display_name":"IEEE Transactions on Computational Biology and Bioinformatics","issn_l":"1545-5963","issn":["1545-5963","1557-9964","2374-0043","2998-4165"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE/ACM Transactions on Computational Biology and Bioinformatics","raw_type":"journal-article"},{"id":"pmid:33769935","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33769935","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":"IEEE/ACM transactions on computational biology and bioinformatics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1187543282","display_name":null,"funder_award_id":"61772557","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G1729077721","display_name":null,"funder_award_id":"61732009","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4066238608","display_name":null,"funder_award_id":"B18059","funder_id":"https://openalex.org/F4320327912","funder_display_name":"Higher Education Discipline Innovation Project"},{"id":"https://openalex.org/G8196091623","display_name":null,"funder_award_id":"U1909208","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320327912","display_name":"Higher Education Discipline Innovation Project","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":186,"referenced_works":["https://openalex.org/W148928213","https://openalex.org/W1485009520","https://openalex.org/W1501531009","https://openalex.org/W1614298861","https://openalex.org/W1757990252","https://openalex.org/W1832693441","https://openalex.org/W1836465849","https://openalex.org/W1935434993","https://openalex.org/W1969051510","https://openalex.org/W1972987731","https://openalex.org/W1975147762","https://openalex.org/W1975875968","https://openalex.org/W1978370150","https://openalex.org/W1983478747","https://openalex.org/W1988037271","https://openalex.org/W1991919669","https://openalex.org/W2033906815","https://openalex.org/W2035585923","https://openalex.org/W2040369353","https://openalex.org/W2044002635","https://openalex.org/W2046881237","https://openalex.org/W2062941476","https://openalex.org/W2070930739","https://openalex.org/W2075426299","https://openalex.org/W2075692164","https://openalex.org/W2077513513","https://openalex.org/W2093117046","https://openalex.org/W2096729078","https://openalex.org/W2097117768","https://openalex.org/W2098432123","https://openalex.org/W2098967508","https://openalex.org/W2099754222","https://openalex.org/W2100495367","https://openalex.org/W2100672820","https://openalex.org/W2109991441","https://openalex.org/W2110256992","https://openalex.org/W2119512897","https://openalex.org/W2122863289","https://openalex.org/W2125335678","https://openalex.org/W2127589108","https://openalex.org/W2130479394","https://openalex.org/W2133564696","https://openalex.org/W2136922672","https://openalex.org/W2148145769","https://openalex.org/W2155744824","https://openalex.org/W2162011385","https://openalex.org/W2167212630","https://openalex.org/W2170146596","https://openalex.org/W2177317049","https://openalex.org/W2194775991","https://openalex.org/W2204695023","https://openalex.org/W2214665483","https://openalex.org/W2241011319","https://openalex.org/W2259538443","https://openalex.org/W2290847742","https://openalex.org/W2302255633","https://openalex.org/W2320034101","https://openalex.org/W2340589369","https://openalex.org/W2471196942","https://openalex.org/W2513544049","https://openalex.org/W2513880868","https://openalex.org/W2529996553","https://openalex.org/W2540540415","https://openalex.org/W2553681302","https://openalex.org/W2557496587","https://openalex.org/W2558698012","https://openalex.org/W2559777733","https://openalex.org/W2563206593","https://openalex.org/W2583907533","https://openalex.org/W2592742128","https://openalex.org/W2613634265","https://openalex.org/W2617446819","https://openalex.org/W2623060321","https://openalex.org/W2702177082","https://openalex.org/W2735246657","https://openalex.org/W2739999456","https://openalex.org/W2752782242","https://openalex.org/W2767801660","https://openalex.org/W2767891136","https://openalex.org/W2772005301","https://openalex.org/W2777416523","https://openalex.org/W2781821160","https://openalex.org/W2785947426","https://openalex.org/W2793951981","https://openalex.org/W2799701389","https://openalex.org/W2807704635","https://openalex.org/W2807792492","https://openalex.org/W2809216727","https://openalex.org/W2860192827","https://openalex.org/W2883204049","https://openalex.org/W2886544065","https://openalex.org/W2891838559","https://openalex.org/W2893316328","https://openalex.org/W2899788782","https://openalex.org/W2906084236","https://openalex.org/W2911286998","https://openalex.org/W2911871527","https://openalex.org/W2919115771","https://openalex.org/W2921473648","https://openalex.org/W2945811181","https://openalex.org/W2945848398","https://openalex.org/W2951276412","https://openalex.org/W2952230511","https://openalex.org/W2955488150","https://openalex.org/W2956769933","https://openalex.org/W2960557205","https://openalex.org/W2962711740","https://openalex.org/W2963028280","https://openalex.org/W2963446712","https://openalex.org/W2963676163","https://openalex.org/W2964015378","https://openalex.org/W2964113829","https://openalex.org/W2964206522","https://openalex.org/W2969980075","https://openalex.org/W2969996838","https://openalex.org/W2971405760","https://openalex.org/W2974531988","https://openalex.org/W2978484973","https://openalex.org/W2992185449","https://openalex.org/W2999143619","https://openalex.org/W2999554466","https://openalex.org/W3000043291","https://openalex.org/W3000369508","https://openalex.org/W3004469949","https://openalex.org/W3004604833","https://openalex.org/W3004946973","https://openalex.org/W3005043246","https://openalex.org/W3005064662","https://openalex.org/W3005088777","https://openalex.org/W3005769002","https://openalex.org/W3005970824","https://openalex.org/W3010821291","https://openalex.org/W3014346445","https://openalex.org/W3014881833","https://openalex.org/W3018980093","https://openalex.org/W3019745511","https://openalex.org/W3021453944","https://openalex.org/W3022905129","https://openalex.org/W3028589594","https://openalex.org/W3029836473","https://openalex.org/W3032123378","https://openalex.org/W3058989626","https://openalex.org/W3088849005","https://openalex.org/W3097857367","https://openalex.org/W3098189759","https://openalex.org/W3098521774","https://openalex.org/W3099816816","https://openalex.org/W3100157108","https://openalex.org/W3105945839","https://openalex.org/W3113654230","https://openalex.org/W3117084002","https://openalex.org/W4249920046","https://openalex.org/W4287667694","https://openalex.org/W4288262508","https://openalex.org/W4288375408","https://openalex.org/W4293508416","https://openalex.org/W4294362894","https://openalex.org/W4385245566","https://openalex.org/W6628877408","https://openalex.org/W6636510571","https://openalex.org/W6638667902","https://openalex.org/W6679434410","https://openalex.org/W6683738474","https://openalex.org/W6685350579","https://openalex.org/W6688357764","https://openalex.org/W6690283857","https://openalex.org/W6698183232","https://openalex.org/W6725628906","https://openalex.org/W6725739302","https://openalex.org/W6726873649","https://openalex.org/W6733974131","https://openalex.org/W6737658843","https://openalex.org/W6738509884","https://openalex.org/W6739901393","https://openalex.org/W6746779403","https://openalex.org/W6753361931","https://openalex.org/W6754929296","https://openalex.org/W6761837902","https://openalex.org/W6762480061","https://openalex.org/W6762896663","https://openalex.org/W6767235624","https://openalex.org/W6775123410","https://openalex.org/W6775330246","https://openalex.org/W6775902857","https://openalex.org/W6783267081","https://openalex.org/W6785149366"],"related_works":["https://openalex.org/W2017899917","https://openalex.org/W2481322495","https://openalex.org/W2898682754","https://openalex.org/W2889841093","https://openalex.org/W4246603716","https://openalex.org/W2365236913","https://openalex.org/W3194374240","https://openalex.org/W2127264463","https://openalex.org/W3164924009","https://openalex.org/W3034267371"],"abstract_inverted_index":{"The":[0,157],"identification":[1,26],"of":[2,30,38,91,137,143,159,170,221,233],"compound-protein":[3,8,12,24],"relations":[4],"(CPRs),":[5],"which":[6],"includes":[7],"interactions":[9],"(CPIs)":[10],"and":[11,40,44,52,84,88,93,115,119,140,152,165,182,187,190,201,240,254,260],"affinities":[13],"(CPAs),":[14],"is":[15,27,42,162,214],"critical":[16],"to":[17,68,81,99,163,216,258,266],"drug":[18,71],"development.":[19,72],"A":[20],"common":[21],"method":[22],"for":[23,256],"relation":[25],"the":[28,36,86,125,135,141,167,180,218,230,234,237],"use":[29,85],"in":[31,45,112,134,174,194,207],"vitro":[32,46],"screening":[33,47,66],"experiments.":[34],"However,":[35],"number":[37],"compounds":[39,92],"proteins":[41,95],"massive,":[43],"experiments":[48],"are":[49],"labor-intensive,":[50],"expensive,":[51],"time-consuming":[53],"with":[54],"high":[55],"failure":[56],"rates.":[57],"Researchers":[58],"have":[59],"developed":[60,150],"a":[61,211],"computational":[62,101],"field":[63,136],"called":[64],"virtual":[65],"(VS)":[67],"aid":[69],"experimental":[70],"These":[73],"methods":[74,223,265],"utilize":[75],"experimentally":[76],"validated":[77],"biological":[78],"interaction":[79],"information":[80,98],"generate":[82],"datasets":[83,181],"physicochemical":[87],"structural":[89],"properties":[90],"target":[94],"as":[96],"input":[97],"train":[100],"prediction":[102,142,196,219],"models.":[103],"At":[104,124],"present,":[105],"deep":[106,128,147,171,204,263],"learning":[107,129,148,172,205,264],"has":[108,120,130,149,153],"been":[109,132],"widely":[110],"used":[111,133,193],"computer":[113],"vision":[114],"natural":[116],"language":[117],"processing":[118],"experienced":[121],"epoch-making":[122],"progress.":[123],"same":[126],"time,":[127],"also":[131],"biomedicine":[138],"widely,":[139],"CPRs":[144],"based":[145],"on":[146,224],"rapidly":[151],"achieved":[154],"good":[155],"results.":[156],"purpose":[158],"this":[160,248],"study":[161],"investigate":[164],"discuss":[166,229],"latest":[168],"applications":[169],"techniques":[173],"CPR":[175,195,208,268],"prediction.":[176,209],"First,":[177],"we":[178,199,228],"describe":[179],"feature":[183],"engineering":[184],"(i.e.,":[185],"compound":[186],"protein":[188],"representations":[189],"descriptors)":[191],"commonly":[192],"methods.":[197],"Then,":[198],"review":[200],"classify":[202],"recent":[203],"approaches":[206],"Next,":[210],"comprehensive":[212],"comparison":[213],"performed":[215],"demonstrate":[217],"performance":[220],"representative":[222],"classical":[225],"datasets.":[226],"Finally,":[227],"current":[231],"state":[232],"field,":[235],"including":[236],"existing":[238],"challenges":[239],"our":[241],"proposed":[242],"future":[243],"directions.":[244],"We":[245],"believe":[246],"that":[247],"investigation":[249],"will":[250],"provide":[251],"sufficient":[252],"references":[253],"insight":[255],"researchers":[257],"understand":[259],"develop":[261],"new":[262],"enhance":[267],"predictions.":[269]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":12},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1}],"updated_date":"2026-08-28T12:50:07.497085","created_date":"2025-10-10T00:00:00"}