{"id":"https://openalex.org/W2539516381","doi":"https://doi.org/10.1093/bib/bbw105","title":"Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening","display_name":"Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening","publication_year":2016,"publication_date":"2016-09-29","ids":{"openalex":"https://openalex.org/W2539516381","doi":"https://doi.org/10.1093/bib/bbw105","mag":"2539516381","pmid":"https://pubmed.ncbi.nlm.nih.gov/27789427"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbw105","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbw105","pdf_url":"https://academic.oup.com/bib/article-pdf/19/2/277/25524063/bbw105.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":"public-domain","license_id":"https://openalex.org/licenses/public-domain","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/19/2/277/25524063/bbw105.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5060257862","display_name":"Shardul Paricharak","orcid":null},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]},{"id":"https://openalex.org/I4210133171","display_name":"Centre for Human Drug Research","ror":"https://ror.org/044hshx49","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210133171"]},{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]}],"countries":["GB","NL"],"is_corresponding":true,"raw_author_name":"Shardul Paricharak","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060499961","display_name":"Oscar M\u00e9ndez\u2010Lucio","orcid":"https://orcid.org/0000-0003-0345-1168"},"institutions":[{"id":"https://openalex.org/I8961855","display_name":"Universidad Nacional Aut\u00f3noma de M\u00e9xico","ror":"https://ror.org/01tmp8f25","country_code":"MX","type":"education","lineage":["https://openalex.org/I8961855"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB","MX"],"is_corresponding":false,"raw_author_name":"Oscar M\u00e9ndez-Lucio","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","Facultad de Qu\u00edmica, Departamento de Farmacia, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Avenida Universidad 3000, Mexico City, Mexico"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Facultad de Qu\u00edmica, Departamento de Farmacia, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Avenida Universidad 3000, Mexico City, Mexico","institution_ids":["https://openalex.org/I8961855"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049962943","display_name":"Aakash Chavan Ravindranath","orcid":null},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Aakash Chavan Ravindranath","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065525958","display_name":"Adriaan P. IJzerman","orcid":"https://orcid.org/0000-0002-1182-2259"},"institutions":[{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]},{"id":"https://openalex.org/I4210133171","display_name":"Centre for Human Drug Research","ror":"https://ror.org/044hshx49","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210133171"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Adriaan P. IJzerman","raw_affiliation_strings":["Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088996741","display_name":"Gerard J. P. van Westen","orcid":"https://orcid.org/0000-0003-0717-1817"},"institutions":[{"id":"https://openalex.org/I4210133171","display_name":"Centre for Human Drug Research","ror":"https://ror.org/044hshx49","country_code":"NL","type":"facility","lineage":["https://openalex.org/I4210133171"]},{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Gerard J. P. van Westen","raw_affiliation_strings":["Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5060257862"],"corresponding_institution_ids":["https://openalex.org/I121797337","https://openalex.org/I241749","https://openalex.org/I4210133171"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":3.2345,"has_fulltext":true,"cited_by_count":33,"citation_normalized_percentile":{"value":0.92617469,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"19","issue":"2","first_page":"bbw105","last_page":"bbw105"},"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":0.9790999889373779,"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/T13180","display_name":"Chemistry and Chemical Engineering","score":0.9488999843597412,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/prioritization","display_name":"Prioritization","score":0.7430594563484192},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.713126540184021},{"id":"https://openalex.org/keywords/triage","display_name":"Triage","score":0.5988355875015259},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.5840497016906738},{"id":"https://openalex.org/keywords/high-throughput-screening","display_name":"High-throughput screening","score":0.5277153849601746},{"id":"https://openalex.org/keywords/throughput","display_name":"Throughput","score":0.5126256346702576},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.37344372272491455},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.14891934394836426},{"id":"https://openalex.org/keywords/process-management","display_name":"Process management","score":0.12026622891426086},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.11204135417938232},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1034325659275055},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.07615014910697937}],"concepts":[{"id":"https://openalex.org/C2777615720","wikidata":"https://www.wikidata.org/wiki/Q11888847","display_name":"Prioritization","level":2,"score":0.7430594563484192},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.713126540184021},{"id":"https://openalex.org/C2777120189","wikidata":"https://www.wikidata.org/wiki/Q780067","display_name":"Triage","level":2,"score":0.5988355875015259},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5840497016906738},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.5277153849601746},{"id":"https://openalex.org/C157764524","wikidata":"https://www.wikidata.org/wiki/Q1383412","display_name":"Throughput","level":3,"score":0.5126256346702576},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.37344372272491455},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.14891934394836426},{"id":"https://openalex.org/C195094911","wikidata":"https://www.wikidata.org/wiki/Q14167904","display_name":"Process management","level":1,"score":0.12026622891426086},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.11204135417938232},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1034325659275055},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.07615014910697937},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C555944384","wikidata":"https://www.wikidata.org/wiki/Q249","display_name":"Wireless","level":2,"score":0.0},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.0},{"id":"https://openalex.org/C194828623","wikidata":"https://www.wikidata.org/wiki/Q2861470","display_name":"Emergency medicine","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003625","descriptor_name":"Data Collection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003625","descriptor_name":"Data Collection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003625","descriptor_name":"Data Collection","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","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":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1093/bib/bbw105","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbw105","pdf_url":"https://academic.oup.com/bib/article-pdf/19/2/277/25524063/bbw105.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":"public-domain","license_id":"https://openalex.org/licenses/public-domain","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:27789427","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27789427","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:4990977","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6018726","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:openaccess.leidenuniv.nl:1887/61098","is_oa":true,"landing_page_url":"http://hdl.handle.net/1887/61098","pdf_url":null,"source":{"id":"https://openalex.org/S4306400850","display_name":"Leiden Repository (Leiden University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I121797337","host_organization_name":"Leiden University","host_organization_lineage":["https://openalex.org/I121797337"],"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":"19","raw_type":"Article / Letter to editor"},{"id":"pmh:oai:scholarlypublications.universiteitleiden.nl:item_2948439","is_oa":true,"landing_page_url":"https://hdl.handle.net/1887/61098","pdf_url":null,"source":{"id":"https://openalex.org/S4306400850","display_name":"Leiden Repository (Leiden University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I121797337","host_organization_name":"Leiden University","host_organization_lineage":["https://openalex.org/I121797337"],"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":"Briefings in bioinformatics","raw_type":"Article / Letter to editor"}],"best_oa_location":{"id":"doi:10.1093/bib/bbw105","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbw105","pdf_url":"https://academic.oup.com/bib/article-pdf/19/2/277/25524063/bbw105.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":"public-domain","license_id":"https://openalex.org/licenses/public-domain","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1308849570","display_name":null,"funder_award_id":"017.009-065","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"},{"id":"https://openalex.org/G2682425918","display_name":null,"funder_award_id":"NWO-Veni","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"},{"id":"https://openalex.org/G300669198","display_name":null,"funder_award_id":"NWO-017.009-065","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"},{"id":"https://openalex.org/G3759882581","display_name":null,"funder_award_id":"14410","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"}],"funders":[{"id":"https://openalex.org/F4320321800","display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","ror":"https://ror.org/04jsz6e67"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2539516381.pdf","grobid_xml":"https://content.openalex.org/works/W2539516381.grobid-xml"},"referenced_works_count":100,"referenced_works":["https://openalex.org/W155109449","https://openalex.org/W1512720685","https://openalex.org/W1516402388","https://openalex.org/W1596413280","https://openalex.org/W1608885177","https://openalex.org/W1965221441","https://openalex.org/W1965269517","https://openalex.org/W1967019899","https://openalex.org/W1969293071","https://openalex.org/W1982131304","https://openalex.org/W1986516145","https://openalex.org/W1988037271","https://openalex.org/W1991118597","https://openalex.org/W1991238353","https://openalex.org/W1993147546","https://openalex.org/W1995089537","https://openalex.org/W1995204800","https://openalex.org/W1999572972","https://openalex.org/W2000905540","https://openalex.org/W2002925793","https://openalex.org/W2007953805","https://openalex.org/W2009588798","https://openalex.org/W2010379115","https://openalex.org/W2014276094","https://openalex.org/W2016922576","https://openalex.org/W2017254234","https://openalex.org/W2018055814","https://openalex.org/W2022625706","https://openalex.org/W2029112828","https://openalex.org/W2030528974","https://openalex.org/W2031441006","https://openalex.org/W2033757486","https://openalex.org/W2033882981","https://openalex.org/W2034763070","https://openalex.org/W2037849836","https://openalex.org/W2038773870","https://openalex.org/W2039709045","https://openalex.org/W2043934142","https://openalex.org/W2045721491","https://openalex.org/W2046398049","https://openalex.org/W2046588282","https://openalex.org/W2050081822","https://openalex.org/W2052826484","https://openalex.org/W2055955780","https://openalex.org/W2061843861","https://openalex.org/W2062671889","https://openalex.org/W2070163108","https://openalex.org/W2071234745","https://openalex.org/W2074274985","https://openalex.org/W2074682587","https://openalex.org/W2074812962","https://openalex.org/W2075186867","https://openalex.org/W2076442990","https://openalex.org/W2077804275","https://openalex.org/W2078041509","https://openalex.org/W2082577020","https://openalex.org/W2092053124","https://openalex.org/W2093187991","https://openalex.org/W2095285023","https://openalex.org/W2095367953","https://openalex.org/W2096541451","https://openalex.org/W2097449851","https://openalex.org/W2098917806","https://openalex.org/W2100947872","https://openalex.org/W2101247233","https://openalex.org/W2103742120","https://openalex.org/W2109354277","https://openalex.org/W2118085282","https://openalex.org/W2121202200","https://openalex.org/W2125121861","https://openalex.org/W2128564217","https://openalex.org/W2128966273","https://openalex.org/W2130143129","https://openalex.org/W2141064379","https://openalex.org/W2146513978","https://openalex.org/W2150516667","https://openalex.org/W2152179597","https://openalex.org/W2152917871","https://openalex.org/W2153609134","https://openalex.org/W2156077095","https://openalex.org/W2156878060","https://openalex.org/W2162566713","https://openalex.org/W2164120866","https://openalex.org/W2171955717","https://openalex.org/W2174995756","https://openalex.org/W2176516200","https://openalex.org/W2179066627","https://openalex.org/W2196714401","https://openalex.org/W2197008132","https://openalex.org/W2215197337","https://openalex.org/W2235675062","https://openalex.org/W2273821489","https://openalex.org/W2309222107","https://openalex.org/W2316533333","https://openalex.org/W2316724775","https://openalex.org/W2321465260","https://openalex.org/W2340001862","https://openalex.org/W2489988882","https://openalex.org/W2518384400","https://openalex.org/W4240773179"],"related_works":["https://openalex.org/W1975091423","https://openalex.org/W4289656763","https://openalex.org/W3205189334","https://openalex.org/W580487332","https://openalex.org/W2097654801","https://openalex.org/W1519879345","https://openalex.org/W3150498631","https://openalex.org/W2371195977","https://openalex.org/W2768489290","https://openalex.org/W2354872674"],"abstract_inverted_index":{"High-throughput":[0],"screening":[1,45,87,119],"(HTS)":[2],"campaigns":[3],"are":[4],"routinely":[5],"performed":[6],"in":[7,33,63,85,109,126],"pharmaceutical":[8],"companies":[9],"to":[10,41],"explore":[11],"activity":[12,53,65,99,115],"profiles":[13],"of":[14,20,29,72,95,106],"chemical":[15],"libraries":[16],"for":[17,23,55],"the":[18,27,64,69,107],"identification":[19],"promising":[21],"candidates":[22],"further":[24],"investigation.":[25],"With":[26],"aim":[28],"improving":[30],"hit":[31,49,83],"rates":[32,84],"these":[34],"campaigns,":[35],"data-driven":[36,110],"approaches":[37],"have":[38],"been":[39,61],"used":[40],"design":[42],"relevant":[43],"compound":[44,56,75,93],"collections,":[46],"enable":[47],"effective":[48],"triage":[50],"and":[51,89,118,122],"perform":[52],"modeling":[54,66,116],"prioritization.":[57],"Remarkable":[58],"progress":[59],"has":[60],"made":[62],"area":[67],"since":[68],"recent":[70],"introduction":[71],"large-scale":[73],"bioactivity-based":[74],"similarity":[76],"metrics.":[77],"This":[78],"is":[79],"evidenced":[80],"by":[81],"increased":[82],"iterative":[86],"strategies":[88],"novel":[90,114],"insights":[91],"into":[92],"mode":[94],"action":[96],"obtained":[97],"through":[98],"modeling.":[100],"Here,":[101],"we":[102],"provide":[103],"an":[104],"overview":[105],"developments":[108],"approaches,":[111],"elaborate":[112],"on":[113],"techniques":[117],"paradigms":[120],"explored":[121],"outline":[123],"their":[124],"significance":[125],"HTS.":[127]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":3}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}
