{"id":"https://openalex.org/W3031641561","doi":"https://doi.org/10.1021/acs.jcim.0c00435","title":"Medicinal Chemists versus Machines Challenge: What Will It Take to Adopt and Advance Artificial Intelligence for Drug Discovery?","display_name":"Medicinal Chemists versus Machines Challenge: What Will It Take to Adopt and Advance Artificial Intelligence for Drug Discovery?","publication_year":2020,"publication_date":"2020-05-29","ids":{"openalex":"https://openalex.org/W3031641561","doi":"https://doi.org/10.1021/acs.jcim.0c00435","mag":"3031641561","pmid":"https://pubmed.ncbi.nlm.nih.gov/32469509"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c00435","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00435","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","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/A5036742375","display_name":"Alex Zhavoronkov","orcid":"https://orcid.org/0000-0001-7067-8966"},"institutions":[{"id":"https://openalex.org/I2800906782","display_name":"Hong Kong Science and Technology Parks Corporation","ror":"https://ror.org/05q8mqd91","country_code":"HK","type":"nonprofit","lineage":["https://openalex.org/I2800906782"]}],"countries":["HK"],"is_corresponding":true,"raw_author_name":"Alex Zhavoronkov","raw_affiliation_strings":["Insilico Medicine , 307A, E1, Hong Kong Science and Technology Park , ,","Insilico Medicine, 307A, E1, Hong Kong Science and Technology Park, Hong Kong, People's Republic of China"],"raw_orcid":"https://orcid.org/0000-0001-7067-8966","affiliations":[{"raw_affiliation_string":"Insilico Medicine , 307A, E1, Hong Kong Science and Technology Park , ,","institution_ids":["https://openalex.org/I2800906782"]},{"raw_affiliation_string":"Insilico Medicine, 307A, E1, Hong Kong Science and Technology Park, Hong Kong, People's Republic of China","institution_ids":["https://openalex.org/I2800906782"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5036742375"],"corresponding_institution_ids":["https://openalex.org/I2800906782"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.1634,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.83206447,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"60","issue":"6","first_page":"2657","last_page":"2659"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9984999895095825,"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":0.9984999895095825,"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/T14293","display_name":"Biotechnology and Related Fields","score":0.9661999940872192,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T13937","display_name":"Genetics, Bioinformatics, and Biomedical Research","score":0.9629999995231628,"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/drug-discovery","display_name":"Drug discovery","score":0.7058390378952026},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4152102768421173},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.41424453258514404},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.36931952834129333},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1793552041053772},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.13974592089653015}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7058390378952026},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4152102768421173},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.41424453258514404},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.36931952834129333},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1793552041053772},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.13974592089653015}],"mesh":[{"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":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","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":"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":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c00435","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00435","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:32469509","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32469509","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 chemical information and modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W2028279608","https://openalex.org/W2166550586","https://openalex.org/W2273267066","https://openalex.org/W2529996553","https://openalex.org/W2567534979","https://openalex.org/W2891868449","https://openalex.org/W2971690404","https://openalex.org/W3003906593","https://openalex.org/W3098269892","https://openalex.org/W4206579729"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W4391913857","https://openalex.org/W2350741829","https://openalex.org/W2530322880"],"abstract_inverted_index":{"The":[0],"field":[1],"of":[2,20,26,34,41,43],"artificial":[3],"intelligence":[4,54],"(AI)":[5],"for":[6],"generative":[7],"chemistry":[8],"is":[9],"reaching":[10],"the":[11,15,18,21,24,27,50],"maturity":[12],"stage,":[13],"shifting":[14],"focus":[16],"from":[17],"novelty":[19],"algorithms":[22],"to":[23],"quality":[25],"generated":[28],"molecules.":[29],"To":[30],"ensure":[31],"continued":[32],"evolution":[33],"AI":[35],"technologies,":[36],"we":[37],"propose":[38],"a":[39],"series":[40],"challenges":[42],"increasing":[44],"complexity":[45],"by":[46],"comparing":[47],"and":[48,52],"combining":[49],"machine":[51],"human":[53],"in":[55],"medicinal":[56],"chemistry.":[57]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":5}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2025-10-10T00:00:00"}
