{"id":"https://openalex.org/W2110092182","doi":"https://doi.org/10.1093/bioinformatics/bts349","title":"MolClass: a web portal to interrogate diverse small molecule screen datasets with different computational models","display_name":"MolClass: a web portal to interrogate diverse small molecule screen datasets with different computational models","publication_year":2012,"publication_date":"2012-06-17","ids":{"openalex":"https://openalex.org/W2110092182","doi":"https://doi.org/10.1093/bioinformatics/bts349","mag":"2110092182","pmid":"https://pubmed.ncbi.nlm.nih.gov/22711790"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/bts349","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bts349","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/16/2200/48871762/bioinformatics_28_16_2200.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/28/16/2200/48871762/bioinformatics_28_16_2200.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5013973117","display_name":"Jan Wildenhain","orcid":"https://orcid.org/0000-0002-5461-3828"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]},{"id":"https://openalex.org/I4210096154","display_name":"Institute for Research in Immunology and Cancer","ror":"https://ror.org/00wj6x496","country_code":"CA","type":"facility","lineage":["https://openalex.org/I4210096154"]},{"id":"https://openalex.org/I4210134627","display_name":"Wellcome Centre for Cell Biology","ror":"https://ror.org/03xbccz06","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210134627","https://openalex.org/I87048295","https://openalex.org/I98677209"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]},{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["CA","GB","US"],"is_corresponding":true,"raw_author_name":"Jan Wildenhain","raw_affiliation_strings":["1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4","institution_ids":["https://openalex.org/I201448701","https://openalex.org/I4210096154","https://openalex.org/I4210134627","https://openalex.org/I70931966","https://openalex.org/I98677209"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073439637","display_name":"Nicholas FitzGerald","orcid":null},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]},{"id":"https://openalex.org/I4210096154","display_name":"Institute for Research in Immunology and Cancer","ror":"https://ror.org/00wj6x496","country_code":"CA","type":"facility","lineage":["https://openalex.org/I4210096154"]},{"id":"https://openalex.org/I4210134627","display_name":"Wellcome Centre for Cell Biology","ror":"https://ror.org/03xbccz06","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210134627","https://openalex.org/I87048295","https://openalex.org/I98677209"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]},{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["CA","GB","US"],"is_corresponding":false,"raw_author_name":"Nicholas FitzGerald","raw_affiliation_strings":["1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4","institution_ids":["https://openalex.org/I201448701","https://openalex.org/I4210096154","https://openalex.org/I4210134627","https://openalex.org/I70931966","https://openalex.org/I98677209"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057700057","display_name":"Mike Tyers","orcid":"https://orcid.org/0000-0002-9713-9994"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]},{"id":"https://openalex.org/I4210096154","display_name":"Institute for Research in Immunology and Cancer","ror":"https://ror.org/00wj6x496","country_code":"CA","type":"facility","lineage":["https://openalex.org/I4210096154"]},{"id":"https://openalex.org/I4210134627","display_name":"Wellcome Centre for Cell Biology","ror":"https://ror.org/03xbccz06","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210134627","https://openalex.org/I87048295","https://openalex.org/I98677209"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]},{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["CA","GB","US"],"is_corresponding":true,"raw_author_name":"Mike Tyers","raw_affiliation_strings":["1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1, \u00a01Wellcome Trust Centre for Cell Biology and School of Biological Sciences, The University of Edinburgh, Edinburgh EH9 3JR, UK, 2Department of Computer Science and Engineering, University of Washington, Seattle, WA 98122, USA and 3Institute for Research in Immunology and Cancer, Universit\u00e9 de Montr\u00e9al, Qu\u00e9bec, Canada H3T 1J4","institution_ids":["https://openalex.org/I201448701","https://openalex.org/I4210096154","https://openalex.org/I4210134627","https://openalex.org/I70931966","https://openalex.org/I98677209"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5013973117","https://openalex.org/A5057700057"],"corresponding_institution_ids":["https://openalex.org/I201448701","https://openalex.org/I4210096154","https://openalex.org/I4210134627","https://openalex.org/I70931966","https://openalex.org/I98677209"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":1.2944,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.81473396,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":"28","issue":"16","first_page":"2200","last_page":"2201"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.8946999907493591,"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":0.8946999907493591,"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":0.035599999129772186,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.013700000010430813,"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/computer-science","display_name":"Computer science","score":0.7724857330322266},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.6298611164093018},{"id":"https://openalex.org/keywords/source-code","display_name":"Source code","score":0.5733576416969299},{"id":"https://openalex.org/keywords/fingerprint","display_name":"Fingerprint (computing)","score":0.5579909086227417},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.5081539154052734},{"id":"https://openalex.org/keywords/web-service","display_name":"Web service","score":0.4806324541568756},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.47050899267196655},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.46859684586524963},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.4683757424354553},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.455375999212265},{"id":"https://openalex.org/keywords/open-source","display_name":"Open source","score":0.44100239872932434},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.35258787870407104},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3399851322174072},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.23966601490974426},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.20736360549926758},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2034296691417694},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14262208342552185}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7724857330322266},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.6298611164093018},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.5733576416969299},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.5579909086227417},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5081539154052734},{"id":"https://openalex.org/C35578498","wikidata":"https://www.wikidata.org/wiki/Q193424","display_name":"Web service","level":2,"score":0.4806324541568756},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.47050899267196655},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.46859684586524963},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.4683757424354553},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.455375999212265},{"id":"https://openalex.org/C3018397939","wikidata":"https://www.wikidata.org/wiki/Q3644502","display_name":"Open source","level":3,"score":0.44100239872932434},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.35258787870407104},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3399851322174072},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.23966601490974426},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.20736360549926758},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2034296691417694},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14262208342552185},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0}],"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":"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":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","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":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001669","descriptor_name":"Biochemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001669","descriptor_name":"Biochemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001669","descriptor_name":"Biochemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001669","descriptor_name":"Biochemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/bts349","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bts349","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/16/2200/48871762/bioinformatics_28_16_2200.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:22711790","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22711790","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:europepmc.org:2418720","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3413392","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/bts349","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bts349","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/16/2200/48871762/bioinformatics_28_16_2200.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G5940583438","display_name":"Core funding renewal for the Wellcome Trust Centre for Cell Biology .","funder_award_id":"092076","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"}],"funders":[{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2110092182.pdf","grobid_xml":"https://content.openalex.org/works/W2110092182.grobid-xml"},"referenced_works_count":14,"referenced_works":["https://openalex.org/W1977340881","https://openalex.org/W1997680903","https://openalex.org/W2033591223","https://openalex.org/W2035753075","https://openalex.org/W2045270356","https://openalex.org/W2049334526","https://openalex.org/W2066532920","https://openalex.org/W2116536284","https://openalex.org/W2133990480","https://openalex.org/W2148143831","https://openalex.org/W2148797284","https://openalex.org/W2165958731","https://openalex.org/W2168052206","https://openalex.org/W2473004715"],"related_works":["https://openalex.org/W4285591076","https://openalex.org/W4226333990","https://openalex.org/W2949465924","https://openalex.org/W4292362226","https://openalex.org/W2790530957","https://openalex.org/W2141168367","https://openalex.org/W2745015246","https://openalex.org/W2950999793","https://openalex.org/W2940819419","https://openalex.org/W4285496174"],"abstract_inverted_index":{"UNLABELLED:":[0],"The":[1,88,111],"MolClass":[2,43,63,92,112,128,148],"toolkit":[3],"and":[4,22,53,74,116,130,156],"data":[5],"portal":[6],"generate":[7],"computational":[8],"models":[9,137],"from":[10,138],"user-defined":[11],"small":[12],"molecule":[13],"datasets":[14,35,139],"based":[15,169],"on":[16,133,144,170],"structural":[17],"features":[18],"identified":[19],"in":[20,25,36,105],"hit":[21],"non-hit":[23],"molecules":[24],"different":[26],"screens.":[27,62],"Each":[28],"new":[29],"model":[30],"is":[31,165],"applied":[32],"to":[33,39,70,135],"all":[34],"the":[37,91,100,106,145,150,171],"database":[38],"classify":[40],"compound":[41,51],"specificity.":[42],"thus":[44],"defines":[45],"a":[46,65,79,97,131],"likelihood":[47],"value":[48],"for":[49,84,122,158],"each":[50],"entry":[52],"creates":[54],"an":[55],"activity":[56],"fingerprint":[57],"across":[58],"diverse":[59],"sets":[60],"of":[61,67,82,90,99,102],"uses":[64,149],"variety":[66],"machine-learning":[68],"methods":[69],"find":[71],"molecular":[72],"patterns":[73],"can":[75,140],"therefore":[76],"also":[77,141],"assign":[78],"priori":[80],"predictions":[81],"bioactivities":[83],"previously":[85],"untested":[86],"molecules.":[87],"power":[89],"resource":[93],"will":[94],"grow":[95],"as":[96],"function":[98],"number":[101],"screens":[103],"deposited":[104],"database.":[107],"AVAILABILITY":[108],"AND":[109],"IMPLEMENTATION:":[110],"webportal,":[113],"software":[114],"package":[115],"source":[117],"code":[118],"are":[119],"freely":[120],"available":[121,166],"non-commercial":[123],"use":[124],"at":[125,167],"http://tyerslab.bio.ed.ac.uk/molclass.":[126],"A":[127,162],"tutorial":[129],"guide":[132],"how":[134],"build":[136],"be":[142],"found":[143],"web":[146],"site.":[147],"chemistry":[151],"development":[152],"kit":[153],"(CDK),":[154],"WEKA":[155],"MySQL":[157],"its":[159],"core":[160],"functionality.":[161],"REST":[163],"service":[164],"http://tyerslab.bio.ed.ac.uk/molclass/api":[168],"OpenTox":[172],"API":[173],"1.2.":[174]},"counts_by_year":[{"year":2020,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}
