{"id":"https://openalex.org/W2886544065","doi":"https://doi.org/10.1093/bib/bby061","title":"Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases","display_name":"Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases","publication_year":2018,"publication_date":"2018-06-16","ids":{"openalex":"https://openalex.org/W2886544065","doi":"https://doi.org/10.1093/bib/bby061","mag":"2886544065","pmid":"https://pubmed.ncbi.nlm.nih.gov/30084866"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bby061","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bby061","pdf_url":"https://academic.oup.com/bib/article-pdf/20/5/1878/33616787/bby061.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"review","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bib/article-pdf/20/5/1878/33616787/bby061.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5082878067","display_name":"Ahmet S\u00fcreyya Rifaio\u011flu","orcid":"https://orcid.org/0000-0001-6717-4767"},"institutions":[{"id":"https://openalex.org/I201799495","display_name":"Middle East Technical University","ror":"https://ror.org/014weej12","country_code":"TR","type":"education","lineage":["https://openalex.org/I201799495"]},{"id":"https://openalex.org/I4210155859","display_name":"\u0130skenderun Technical University","ror":"https://ror.org/052nzqz14","country_code":"TR","type":"education","lineage":["https://openalex.org/I4210155859"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Ahmet Sureyya Rifaioglu","raw_affiliation_strings":["Department of Computer Engineering, Middle East Technical University, Ankara, Turkey","Department of Computer Engineering, \u0130skenderun Technical University, Hatay, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Computer Engineering, Middle East Technical University, Ankara, Turkey","institution_ids":["https://openalex.org/I201799495"]},{"raw_affiliation_string":"Department of Computer Engineering, \u0130skenderun Technical University, Hatay, Turkey","institution_ids":["https://openalex.org/I4210155859"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054058101","display_name":"Heval Ata\u015f","orcid":"https://orcid.org/0000-0003-3180-7010"},"institutions":[{"id":"https://openalex.org/I201799495","display_name":"Middle East Technical University","ror":"https://ror.org/014weej12","country_code":"TR","type":"education","lineage":["https://openalex.org/I201799495"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Heval Atas","raw_affiliation_strings":["Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey"],"affiliations":[{"raw_affiliation_string":"Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey","institution_ids":["https://openalex.org/I201799495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071535801","display_name":"Mar\u00eda Martin","orcid":"https://orcid.org/0000-0001-5454-2815"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Maria Jesus Martin","raw_affiliation_strings":["European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL\u2013EBI), Cambridge, Hinxton, UK"],"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL\u2013EBI), Cambridge, Hinxton, UK","institution_ids":["https://openalex.org/I1303153112"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037440533","display_name":"Reng\u00fcl \u00c7etin-Atalay","orcid":"https://orcid.org/0000-0003-2408-6606"},"institutions":[{"id":"https://openalex.org/I201799495","display_name":"Middle East Technical University","ror":"https://ror.org/014weej12","country_code":"TR","type":"education","lineage":["https://openalex.org/I201799495"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Rengul Cetin-Atalay","raw_affiliation_strings":["Department of Computer Engineering, Middle East Technical University, Ankara, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Computer Engineering, Middle East Technical University, Ankara, Turkey","institution_ids":["https://openalex.org/I201799495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042515589","display_name":"Volkan Atalay","orcid":"https://orcid.org/0000-0001-7850-0601"},"institutions":[{"id":"https://openalex.org/I201799495","display_name":"Middle East Technical University","ror":"https://ror.org/014weej12","country_code":"TR","type":"education","lineage":["https://openalex.org/I201799495"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Volkan Atalay","raw_affiliation_strings":["Department of Computer Engineering, Middle East Technical University, Ankara, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Computer Engineering, Middle East Technical University, Ankara, Turkey","institution_ids":["https://openalex.org/I201799495"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003981652","display_name":"Tunca Do\u011fan","orcid":"https://orcid.org/0000-0002-1298-9763"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]},{"id":"https://openalex.org/I201799495","display_name":"Middle East Technical University","ror":"https://ror.org/014weej12","country_code":"TR","type":"education","lineage":["https://openalex.org/I201799495"]}],"countries":["GB","TR"],"is_corresponding":true,"raw_author_name":"Tunca Do\u011fan","raw_affiliation_strings":["Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey and European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL\u2013EBI), Cambridge, Hinxton, UK"],"affiliations":[{"raw_affiliation_string":"Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey and European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL\u2013EBI), Cambridge, Hinxton, UK","institution_ids":["https://openalex.org/I1303153112","https://openalex.org/I201799495"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5003981652"],"corresponding_institution_ids":["https://openalex.org/I1303153112","https://openalex.org/I201799495"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":35.6946,"has_fulltext":true,"cited_by_count":532,"citation_normalized_percentile":{"value":0.9984282,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"20","issue":"5","first_page":"1878","last_page":"1912"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T12859","display_name":"Cell Image Analysis Techniques","score":0.9605000019073486,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/T13937","display_name":"Genetics, Bioinformatics, and Biomedical Research","score":0.9556000232696533,"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/machine-learning","display_name":"Machine learning","score":0.7584145069122314},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.7470227479934692},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7239327430725098},{"id":"https://openalex.org/keywords/biomedicine","display_name":"Biomedicine","score":0.7133894562721252},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.7019152641296387},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.6348071098327637},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.615172266960144},{"id":"https://openalex.org/keywords/benchmarking","display_name":"Benchmarking","score":0.5858160853385925},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.5086777806282043},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.496249258518219},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.4679834842681885},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.39911478757858276},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.21944907307624817},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.10958436131477356}],"concepts":[{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.7584145069122314},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.7470227479934692},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7239327430725098},{"id":"https://openalex.org/C66782513","wikidata":"https://www.wikidata.org/wiki/Q864601","display_name":"Biomedicine","level":2,"score":0.7133894562721252},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7019152641296387},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.6348071098327637},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.615172266960144},{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.5858160853385925},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5086777806282043},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.496249258518219},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.4679834842681885},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.39911478757858276},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.21944907307624817},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.10958436131477356},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","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/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"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":"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":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1093/bib/bby061","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bby061","pdf_url":"https://academic.oup.com/bib/article-pdf/20/5/1878/33616787/bby061.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:30084866","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30084866","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":"Briefings in bioinformatics","raw_type":null},{"id":"pmh:oai:europepmc.org:5874727","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6917215","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:open.metu.edu.tr:11511/31299","is_oa":false,"landing_page_url":"https://hdl.handle.net/11511/31299","pdf_url":null,"source":{"id":"https://openalex.org/S4306402495","display_name":"OpenMETU (Middle East Technical University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I201799495","host_organization_name":"Middle East Technical University","host_organization_lineage":["https://openalex.org/I201799495"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1093/bib/bby061","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bby061","pdf_url":"https://academic.oup.com/bib/article-pdf/20/5/1878/33616787/bby061.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320314023","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/050589e39"},{"id":"https://openalex.org/F4320320664","display_name":"Durham University","ror":"https://ror.org/01v29qb04"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2886544065.pdf","grobid_xml":"https://content.openalex.org/works/W2886544065.grobid-xml"},"referenced_works_count":281,"referenced_works":["https://openalex.org/W16352594","https://openalex.org/W143962061","https://openalex.org/W363319864","https://openalex.org/W651175360","https://openalex.org/W1128809682","https://openalex.org/W1482971402","https://openalex.org/W1495061682","https://openalex.org/W1505191356","https://openalex.org/W1506806321","https://openalex.org/W1508604947","https://openalex.org/W1544009106","https://openalex.org/W1545231783","https://openalex.org/W1571401318","https://openalex.org/W1592950931","https://openalex.org/W1601081659","https://openalex.org/W1655274992","https://openalex.org/W1738019091","https://openalex.org/W1757990252","https://openalex.org/W1869829652","https://openalex.org/W1873332500","https://openalex.org/W1898375943","https://openalex.org/W1964513093","https://openalex.org/W1966172022","https://openalex.org/W1968319881","https://openalex.org/W1968506227","https://openalex.org/W1969051510","https://openalex.org/W1970062872","https://openalex.org/W1971769921","https://openalex.org/W1973974137","https://openalex.org/W1975147762","https://openalex.org/W1975447903","https://openalex.org/W1975875968","https://openalex.org/W1976582164","https://openalex.org/W1978370150","https://openalex.org/W1980969309","https://openalex.org/W1982131304","https://openalex.org/W1982267716","https://openalex.org/W1983478747","https://openalex.org/W1984261657","https://openalex.org/W1984694945","https://openalex.org/W1984994707","https://openalex.org/W1985588649","https://openalex.org/W1988037271","https://openalex.org/W1988909822","https://openalex.org/W1990451437","https://openalex.org/W1993617475","https://openalex.org/W1993711987","https://openalex.org/W1999334142","https://openalex.org/W1999798000","https://openalex.org/W2000671825","https://openalex.org/W2004386051","https://openalex.org/W2005314755","https://openalex.org/W2005329278","https://openalex.org/W2007965730","https://openalex.org/W2008227190","https://openalex.org/W2008381136","https://openalex.org/W2009113274","https://openalex.org/W2013701719","https://openalex.org/W2018340784","https://openalex.org/W2018518196","https://openalex.org/W2019488416","https://openalex.org/W2019951137","https://openalex.org/W2021954541","https://openalex.org/W2024213882","https://openalex.org/W2028198646","https://openalex.org/W2029348196","https://openalex.org/W2031390939","https://openalex.org/W2033591223","https://openalex.org/W2033882981","https://openalex.org/W2034038739","https://openalex.org/W2036595331","https://openalex.org/W2040369353","https://openalex.org/W2043338013","https://openalex.org/W2044573154","https://openalex.org/W2046128919","https://openalex.org/W2046589863","https://openalex.org/W2047886533","https://openalex.org/W2049654081","https://openalex.org/W2051627306","https://openalex.org/W2052030759","https://openalex.org/W2054290922","https://openalex.org/W2055147198","https://openalex.org/W2056881083","https://openalex.org/W2057195902","https://openalex.org/W2059981954","https://openalex.org/W2060948468","https://openalex.org/W2061583504","https://openalex.org/W2062941476","https://openalex.org/W2063060349","https://openalex.org/W2067964678","https://openalex.org/W2068364635","https://openalex.org/W2068819452","https://openalex.org/W2070789802","https://openalex.org/W2070930739","https://openalex.org/W2074231493","https://openalex.org/W2074920600","https://openalex.org/W2074978477","https://openalex.org/W2075426299","https://openalex.org/W2075692164","https://openalex.org/W2076208007","https://openalex.org/W2077513513","https://openalex.org/W2078047353","https://openalex.org/W2079140917","https://openalex.org/W2082243980","https://openalex.org/W2082953923","https://openalex.org/W2085809352","https://openalex.org/W2086380285","https://openalex.org/W2086729168","https://openalex.org/W2087064593","https://openalex.org/W2091432990","https://openalex.org/W2092552275","https://openalex.org/W2093117046","https://openalex.org/W2094403468","https://openalex.org/W2095642553","https://openalex.org/W2098432123","https://openalex.org/W2098740506","https://openalex.org/W2099308584","https://openalex.org/W2100672820","https://openalex.org/W2100761975","https://openalex.org/W2102245393","https://openalex.org/W2103300124","https://openalex.org/W2105393825","https://openalex.org/W2106882534","https://openalex.org/W2110256992","https://openalex.org/W2112243395","https://openalex.org/W2112411768","https://openalex.org/W2112912103","https://openalex.org/W2113403117","https://openalex.org/W2113846323","https://openalex.org/W2114212850","https://openalex.org/W2114411231","https://openalex.org/W2115451817","https://openalex.org/W2116751407","https://openalex.org/W2117077088","https://openalex.org/W2119126379","https://openalex.org/W2119387367","https://openalex.org/W2119512897","https://openalex.org/W2120831232","https://openalex.org/W2125253492","https://openalex.org/W2125335678","https://openalex.org/W2126671570","https://openalex.org/W2127760066","https://openalex.org/W2127921600","https://openalex.org/W2128716813","https://openalex.org/W2129434099","https://openalex.org/W2130479394","https://openalex.org/W2132292391","https://openalex.org/W2134815007","https://openalex.org/W2135007932","https://openalex.org/W2136957665","https://openalex.org/W2137507165","https://openalex.org/W2138512826","https://openalex.org/W2139516171","https://openalex.org/W2139736926","https://openalex.org/W2140407975","https://openalex.org/W2140611297","https://openalex.org/W2142325821","https://openalex.org/W2142529984","https://openalex.org/W2143210482","https://openalex.org/W2145578524","https://openalex.org/W2145749080","https://openalex.org/W2145957695","https://openalex.org/W2148145769","https://openalex.org/W2148740464","https://openalex.org/W2149285653","https://openalex.org/W2151697120","https://openalex.org/W2152800101","https://openalex.org/W2153341679","https://openalex.org/W2153838454","https://openalex.org/W2154139219","https://openalex.org/W2154492420","https://openalex.org/W2158534713","https://openalex.org/W2159560083","https://openalex.org/W2160257187","https://openalex.org/W2160815625","https://openalex.org/W2161151688","https://openalex.org/W2166410137","https://openalex.org/W2166550586","https://openalex.org/W2167212630","https://openalex.org/W2167504764","https://openalex.org/W2167821759","https://openalex.org/W2168938595","https://openalex.org/W2169678694","https://openalex.org/W2171405825","https://openalex.org/W2171464043","https://openalex.org/W2177317049","https://openalex.org/W2184045248","https://openalex.org/W2189911347","https://openalex.org/W2201456513","https://openalex.org/W2204075485","https://openalex.org/W2204695023","https://openalex.org/W2210241103","https://openalex.org/W2213443318","https://openalex.org/W2214665483","https://openalex.org/W2224056471","https://openalex.org/W2241011319","https://openalex.org/W2252523470","https://openalex.org/W2259538443","https://openalex.org/W2268071782","https://openalex.org/W2271352405","https://openalex.org/W2278874757","https://openalex.org/W2290847742","https://openalex.org/W2297764176","https://openalex.org/W2302413701","https://openalex.org/W2306570595","https://openalex.org/W2311607323","https://openalex.org/W2316329158","https://openalex.org/W2321247274","https://openalex.org/W2334874683","https://openalex.org/W2335469959","https://openalex.org/W2342569995","https://openalex.org/W2343614482","https://openalex.org/W2344399270","https://openalex.org/W2397757171","https://openalex.org/W2400913246","https://openalex.org/W2411478524","https://openalex.org/W2413982894","https://openalex.org/W2421133685","https://openalex.org/W2436108096","https://openalex.org/W2461425389","https://openalex.org/W2502949459","https://openalex.org/W2540540415","https://openalex.org/W2549713104","https://openalex.org/W2556131117","https://openalex.org/W2557496587","https://openalex.org/W2558272290","https://openalex.org/W2559777733","https://openalex.org/W2565684601","https://openalex.org/W2566823781","https://openalex.org/W2578240541","https://openalex.org/W2582187633","https://openalex.org/W2592742128","https://openalex.org/W2594183968","https://openalex.org/W2600971009","https://openalex.org/W2610332124","https://openalex.org/W2612935389","https://openalex.org/W2618245351","https://openalex.org/W2620760558","https://openalex.org/W2685808923","https://openalex.org/W2731161895","https://openalex.org/W2739999456","https://openalex.org/W2740946158","https://openalex.org/W2752911680","https://openalex.org/W2753550436","https://openalex.org/W2755400313","https://openalex.org/W2767683865","https://openalex.org/W2770261575","https://openalex.org/W2771577156","https://openalex.org/W2919115771","https://openalex.org/W2951934944","https://openalex.org/W2998216295","https://openalex.org/W3100157108","https://openalex.org/W4210702584","https://openalex.org/W4213151958","https://openalex.org/W4235848672","https://openalex.org/W4244145013","https://openalex.org/W4249920046","https://openalex.org/W4285719527","https://openalex.org/W4293508416","https://openalex.org/W4297730588","https://openalex.org/W4299358177","https://openalex.org/W6600721654","https://openalex.org/W6634228127","https://openalex.org/W6636966703","https://openalex.org/W6637865168","https://openalex.org/W6639175750","https://openalex.org/W6644357179","https://openalex.org/W6646535018","https://openalex.org/W6657916882","https://openalex.org/W6674522558","https://openalex.org/W6677928993","https://openalex.org/W6688357764","https://openalex.org/W6690283857","https://openalex.org/W6698064614","https://openalex.org/W6728823713","https://openalex.org/W6730280152","https://openalex.org/W6736817290","https://openalex.org/W6738210211","https://openalex.org/W6739419154","https://openalex.org/W6746779403","https://openalex.org/W7066667914"],"related_works":["https://openalex.org/W4238897586","https://openalex.org/W435179959","https://openalex.org/W2619091065","https://openalex.org/W2059640416","https://openalex.org/W1490753184","https://openalex.org/W4402084195","https://openalex.org/W1964657534","https://openalex.org/W2070692310","https://openalex.org/W4200184670","https://openalex.org/W4376484878"],"abstract_inverted_index":{"The":[0,121,163],"identification":[1],"of":[2,14,41,91,123,134,156,172,178,196,246,272,278],"interactions":[3],"between":[4,78],"drugs/compounds":[5],"and":[6,50,80,88,129,159,201,206,211,217,224,253,280],"their":[7],"targets":[8],"is":[9,126],"crucial":[10],"for":[11,26,213,221],"the":[12,64,86,98,118,131,154,176,193,243,247,250,266,270],"development":[13],"new":[15],"drugs.":[16],"In":[17,187],"vitro":[18],"screening":[19],"experiments":[20],"(i.e.":[21,204],"bioassays)":[22],"are":[23,32,46,112],"frequently":[24,208],"used":[25,209],"this":[27,124,188,260],"purpose;":[28],"however,":[29],"experimental":[30,69],"approaches":[31],"insufficient":[33],"to":[34,67,103,116,127,150,265],"explore":[35],"novel":[36,282],"drug-target":[37],"interactions,":[38],"mainly":[39],"because":[40],"feasibility":[42],"problems,":[43],"as":[44,57],"they":[45],"labour":[47],"intensive,":[48],"costly":[49],"time":[51],"consuming.":[52],"A":[53],"computational":[54,184,273],"field":[55,271],"known":[56],"'virtual":[58],"screening'":[59],"(VS)":[60],"has":[61],"emerged":[62],"in":[63,114,138,153,181,269,276],"past":[65,164],"decades":[66],"aid":[68],"drug":[70,185,274],"discovery":[71,275],"studies":[72,174,231],"by":[73],"statistically":[74],"estimating":[75],"unknown":[76],"bio-interactions":[77],"compounds":[79,92],"biological":[81],"targets.":[82],"These":[83],"methods":[84],"use":[85],"physico-chemical":[87],"structural":[89],"properties":[90],"and/or":[93],"target":[94],"proteins":[95],"along":[96],"with":[97,232],"experimentally":[99],"verified":[100],"bio-interaction":[101],"information":[102],"generate":[104],"predictive":[105,119],"models.":[106],"Lately,":[107],"sophisticated":[108],"machine":[109,135],"learning":[110,136,180,238],"techniques":[111,137],"applied":[113],"VS":[115,197,230],"elevate":[117],"performance.":[120],"objective":[122],"study":[125],"examine":[128],"discuss":[130,242],"recent":[132,229],"applications":[133],"VS,":[139,214],"including":[140,183,199,249],"deep":[141,179,237],"learning,":[142],"which":[143],"became":[144],"highly":[145],"popular":[146],"after":[147],"giving":[148],"rise":[149],"epochal":[151],"developments":[152],"fields":[155],"computer":[157],"vision":[158],"natural":[160],"language":[161],"processing.":[162],"3":[165],"years":[166],"have":[167],"witnessed":[168],"an":[169],"unprecedented":[170],"amount":[171],"research":[173],"considering":[175],"application":[177],"biomedicine,":[182],"discovery.":[186],"review,":[189],"we":[190,241],"first":[191],"describe":[192],"main":[194],"instruments":[195],"methods,":[198],"compound":[200],"protein":[202],"features":[203],"representations":[205],"descriptors),":[207],"libraries":[210],"toolkits":[212],"bioactivity":[215],"databases":[216],"gold-standard":[218],"data":[219],"sets":[220],"system":[222],"training":[223],"benchmarking.":[225],"We":[226,257],"subsequently":[227],"review":[228],"a":[233],"strong":[234],"emphasis":[235],"on":[236],"applications.":[239],"Finally,":[240],"present":[244],"state":[245],"field,":[248],"current":[251],"challenges":[252],"suggest":[254],"future":[255],"directions.":[256],"believe":[258],"that":[259],"survey":[261],"will":[262],"provide":[263],"insight":[264],"researchers":[267],"working":[268],"terms":[277],"comprehending":[279],"developing":[281],"bio-prediction":[283],"methods.":[284]},"counts_by_year":[{"year":2026,"cited_by_count":15},{"year":2025,"cited_by_count":72},{"year":2024,"cited_by_count":89},{"year":2023,"cited_by_count":85},{"year":2022,"cited_by_count":103},{"year":2021,"cited_by_count":81},{"year":2020,"cited_by_count":56},{"year":2019,"cited_by_count":27},{"year":2018,"cited_by_count":3}],"updated_date":"2026-04-17T18:11:37.981687","created_date":"2025-10-10T00:00:00"}
