{"id":"https://openalex.org/W2081266727","doi":"https://doi.org/10.1007/s10822-008-9189-4","title":"Community benchmarks for virtual screening","display_name":"Community benchmarks for virtual screening","publication_year":2008,"publication_date":"2008-02-13","ids":{"openalex":"https://openalex.org/W2081266727","doi":"https://doi.org/10.1007/s10822-008-9189-4","mag":"2081266727","pmid":"https://pubmed.ncbi.nlm.nih.gov/18273555"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-008-9189-4","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-008-9189-4","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"review","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/A5054045417","display_name":"John J. Irwin","orcid":"https://orcid.org/0000-0002-1195-6417"},"institutions":[{"id":"https://openalex.org/I76766440","display_name":"University of San Francisco","ror":"https://ror.org/029m7xn54","country_code":"US","type":"education","lineage":["https://openalex.org/I76766440"]},{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"John J. Irwin","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, University of California San Francisco, PO Box 2550, Byers Hall, San Francisco, CA 94158-2330, USA. jji@cgl.ucsf.edu","University of California\u2014San Francisco"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of California San Francisco, PO Box 2550, Byers Hall, San Francisco, CA 94158-2330, USA. jji@cgl.ucsf.edu","institution_ids":["https://openalex.org/I180670191","https://openalex.org/I76766440"]},{"raw_affiliation_string":"University of California\u2014San Francisco","institution_ids":["https://openalex.org/I180670191"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5054045417"],"corresponding_institution_ids":["https://openalex.org/I180670191","https://openalex.org/I76766440"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":21.4696,"has_fulltext":false,"cited_by_count":173,"citation_normalized_percentile":{"value":0.99649969,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"22","issue":"3-4","first_page":"193","last_page":"199"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9957000017166138,"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"}},{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9659000039100647,"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/virtual-screening","display_name":"Virtual screening","score":0.8812309503555298},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7294337749481201},{"id":"https://openalex.org/keywords/benchmarking","display_name":"Benchmarking","score":0.6235038042068481},{"id":"https://openalex.org/keywords/pairwise-comparison","display_name":"Pairwise comparison","score":0.505516529083252},{"id":"https://openalex.org/keywords/metric","display_name":"Metric (unit)","score":0.49090248346328735},{"id":"https://openalex.org/keywords/overfitting","display_name":"Overfitting","score":0.4840916395187378},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.47023457288742065},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4465390145778656},{"id":"https://openalex.org/keywords/scope","display_name":"Scope (computer science)","score":0.43886083364486694},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3882283568382263},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.33641281723976135},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3361644148826599},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.15248867869377136},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.14317050576210022},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.08702757954597473},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.086456298828125}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.8812309503555298},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7294337749481201},{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.6235038042068481},{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.505516529083252},{"id":"https://openalex.org/C176217482","wikidata":"https://www.wikidata.org/wiki/Q860554","display_name":"Metric (unit)","level":2,"score":0.49090248346328735},{"id":"https://openalex.org/C22019652","wikidata":"https://www.wikidata.org/wiki/Q331309","display_name":"Overfitting","level":3,"score":0.4840916395187378},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.47023457288742065},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4465390145778656},{"id":"https://openalex.org/C2778012447","wikidata":"https://www.wikidata.org/wiki/Q1034415","display_name":"Scope (computer science)","level":2,"score":0.43886083364486694},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3882283568382263},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.33641281723976135},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3361644148826599},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.15248867869377136},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.14317050576210022},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.08702757954597473},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.086456298828125},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C21547014","wikidata":"https://www.wikidata.org/wiki/Q1423657","display_name":"Operations management","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/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019985","descriptor_name":"Benchmarking","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019985","descriptor_name":"Benchmarking","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019985","descriptor_name":"Benchmarking","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-008-9189-4","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-008-9189-4","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:18273555","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18273555","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/16","score":0.6399999856948853,"display_name":"Peace, Justice and strong institutions"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1503405070","https://openalex.org/W1968682237","https://openalex.org/W1982996392","https://openalex.org/W1983194490","https://openalex.org/W1985588649","https://openalex.org/W1996607909","https://openalex.org/W2003356525","https://openalex.org/W2008005113","https://openalex.org/W2009423060","https://openalex.org/W2018952528","https://openalex.org/W2029087609","https://openalex.org/W2040496005","https://openalex.org/W2050992060","https://openalex.org/W2052030759","https://openalex.org/W2058820833","https://openalex.org/W2059864723","https://openalex.org/W2068017935","https://openalex.org/W2068672372","https://openalex.org/W2084825358","https://openalex.org/W2089035939","https://openalex.org/W2094469836","https://openalex.org/W2096864392","https://openalex.org/W2098971704","https://openalex.org/W2104477830","https://openalex.org/W2107506448","https://openalex.org/W2112101018","https://openalex.org/W2113303193","https://openalex.org/W2114779636","https://openalex.org/W2114819818","https://openalex.org/W2127073449","https://openalex.org/W2130479394","https://openalex.org/W2133773344","https://openalex.org/W2137841449","https://openalex.org/W2138473864","https://openalex.org/W2143422060","https://openalex.org/W2151028167","https://openalex.org/W2160916136","https://openalex.org/W2171234651","https://openalex.org/W2173710522","https://openalex.org/W2176516200","https://openalex.org/W2206840988","https://openalex.org/W2208175234","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W4362597605","https://openalex.org/W4238897586","https://openalex.org/W1574414179","https://openalex.org/W435179959","https://openalex.org/W2619091065","https://openalex.org/W3009056573","https://openalex.org/W4297676672","https://openalex.org/W2803139007","https://openalex.org/W2088647418","https://openalex.org/W2894446834"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":10},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":11},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":8},{"year":2012,"cited_by_count":16}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
