{"id":"https://openalex.org/W2030753552","doi":"https://doi.org/10.1021/ci200266d","title":"DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set","display_name":"DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set","publication_year":2011,"publication_date":"2011-10-13","ids":{"openalex":"https://openalex.org/W2030753552","doi":"https://doi.org/10.1021/ci200266d","mag":"2030753552","pmid":"https://pubmed.ncbi.nlm.nih.gov/21995295"},"language":"en","primary_location":{"id":"doi:10.1021/ci200266d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci200266d","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":true,"oa_status":"green","oa_url":"https://zenodo.org/record/3424157","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5049707493","display_name":"Agata Krasowski","orcid":null},"institutions":[{"id":"https://openalex.org/I177639307","display_name":"University of Dundee","ror":"https://ror.org/03h2bxq36","country_code":"GB","type":"education","lineage":["https://openalex.org/I177639307"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Agata Krasowski","raw_affiliation_strings":["College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K","institution_ids":["https://openalex.org/I177639307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053644742","display_name":"Daniel Muthas","orcid":"https://orcid.org/0000-0001-9320-2004"},"institutions":[{"id":"https://openalex.org/I177639307","display_name":"University of Dundee","ror":"https://ror.org/03h2bxq36","country_code":"GB","type":"education","lineage":["https://openalex.org/I177639307"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Daniel Muthas","raw_affiliation_strings":["College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K","institution_ids":["https://openalex.org/I177639307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059633138","display_name":"Aurijit Sarkar","orcid":"https://orcid.org/0000-0003-3735-6345"},"institutions":[{"id":"https://openalex.org/I177639307","display_name":"University of Dundee","ror":"https://ror.org/03h2bxq36","country_code":"GB","type":"education","lineage":["https://openalex.org/I177639307"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Aurijit Sarkar","raw_affiliation_strings":["College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K","institution_ids":["https://openalex.org/I177639307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089241905","display_name":"Stefan Schmitt","orcid":"https://orcid.org/0000-0002-7742-4990"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Stefan Schmitt","raw_affiliation_strings":["AstraZeneca R&D M\u00f6lndal, Pepparedsleden 1, S-43184 M\u00f6lndal, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D M\u00f6lndal, Pepparedsleden 1, S-43184 M\u00f6lndal, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036784729","display_name":"Ruth Brenk","orcid":"https://orcid.org/0000-0002-6204-5488"},"institutions":[{"id":"https://openalex.org/I177639307","display_name":"University of Dundee","ror":"https://ror.org/03h2bxq36","country_code":"GB","type":"education","lineage":["https://openalex.org/I177639307"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Ruth Brenk","raw_affiliation_strings":["College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, U.K","institution_ids":["https://openalex.org/I177639307"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5036784729"],"corresponding_institution_ids":["https://openalex.org/I177639307"],"apc_list":null,"apc_paid":null,"fwci":7.3389,"has_fulltext":false,"cited_by_count":102,"citation_normalized_percentile":{"value":0.97663622,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"51","issue":"11","first_page":"2829","last_page":"2842"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9944999814033508,"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"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9803000092506409,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/druggability","display_name":"Druggability","score":0.991398811340332},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.5340017080307007},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5086703896522522},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5080399513244629},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.49788975715637207},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.46982812881469727},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.45225974917411804},{"id":"https://openalex.org/keywords/data-set","display_name":"Data set","score":0.43856164813041687},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3427429497241974},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.32021957635879517},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.22699326276779175},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2053704559803009},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.13246116042137146}],"concepts":[{"id":"https://openalex.org/C10679952","wikidata":"https://www.wikidata.org/wiki/Q5308937","display_name":"Druggability","level":3,"score":0.991398811340332},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.5340017080307007},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5086703896522522},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5080399513244629},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.49788975715637207},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.46982812881469727},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.45225974917411804},{"id":"https://openalex.org/C58489278","wikidata":"https://www.wikidata.org/wiki/Q1172284","display_name":"Data set","level":2,"score":0.43856164813041687},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3427429497241974},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.32021957635879517},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.22699326276779175},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2053704559803009},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.13246116042137146},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"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":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"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":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D025341","descriptor_name":"Principal Component Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D025341","descriptor_name":"Principal Component Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D025341","descriptor_name":"Principal Component Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"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":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D057225","descriptor_name":"Data Mining","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057225","descriptor_name":"Data Mining","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057225","descriptor_name":"Data Mining","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci200266d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci200266d","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:21995295","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21995295","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":null},{"id":"pmh:oai:discovery.dundee.ac.uk:openaire_cris_publications/42477c92-d2ca-4d2d-af62-e60f110fffeb","is_oa":false,"landing_page_url":"https://discovery.dundee.ac.uk/en/publications/42477c92-d2ca-4d2d-af62-e60f110fffeb","pdf_url":null,"source":{"id":"https://openalex.org/S4306400523","display_name":"Discovery Research Portal (University of Dundee)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I177639307","host_organization_name":"University of Dundee","host_organization_lineage":["https://openalex.org/I177639307"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Krasowski, A, Muthas, D, Sarkar, A, Schmitt, S & Brenk, R 2011, 'DrugPred : A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set', Journal of Chemical Information and Modeling, vol. 51, no. 11, pp. 2829-2842. https://doi.org/10.1021/ci200266d","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:zenodo.org:3424157","is_oa":true,"landing_page_url":"https://zenodo.org/record/3424157","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:zenodo.org:3424157","is_oa":true,"landing_page_url":"https://zenodo.org/record/3424157","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"score":0.7300000190734863,"display_name":"Reduced inequalities","id":"https://metadata.un.org/sdg/10"}],"awards":[{"id":"https://openalex.org/G4257852179","display_name":null,"funder_award_id":"WT083481","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"},{"id":"https://openalex.org/F4320334629","display_name":"Biotechnology and Biological Sciences Research Council","ror":"https://ror.org/00cwqg982"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1506040158","https://openalex.org/W1891868372","https://openalex.org/W1964141703","https://openalex.org/W1968682237","https://openalex.org/W1969073798","https://openalex.org/W1969888071","https://openalex.org/W1970603142","https://openalex.org/W1974422922","https://openalex.org/W1975293246","https://openalex.org/W1975304761","https://openalex.org/W1979414133","https://openalex.org/W1979598348","https://openalex.org/W1983194490","https://openalex.org/W1991969856","https://openalex.org/W1992447634","https://openalex.org/W1995498227","https://openalex.org/W2002251411","https://openalex.org/W2008525757","https://openalex.org/W2013600324","https://openalex.org/W2018408116","https://openalex.org/W2019971393","https://openalex.org/W2022616786","https://openalex.org/W2023428631","https://openalex.org/W2032353075","https://openalex.org/W2041767096","https://openalex.org/W2044703506","https://openalex.org/W2049894936","https://openalex.org/W2063475221","https://openalex.org/W2065889613","https://openalex.org/W2068172794","https://openalex.org/W2068351024","https://openalex.org/W2070685035","https://openalex.org/W2073503722","https://openalex.org/W2074370114","https://openalex.org/W2078585784","https://openalex.org/W2079953901","https://openalex.org/W2084266282","https://openalex.org/W2092285329","https://openalex.org/W2092974189","https://openalex.org/W2103348066","https://openalex.org/W2145465608","https://openalex.org/W2149044745","https://openalex.org/W2153438515","https://openalex.org/W2154062035","https://openalex.org/W2155148643","https://openalex.org/W2164088236","https://openalex.org/W2170146596","https://openalex.org/W2172224337","https://openalex.org/W2217901364","https://openalex.org/W2299973047","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W1969888071","https://openalex.org/W2124891985","https://openalex.org/W2035422779","https://openalex.org/W2925167008","https://openalex.org/W2008033400","https://openalex.org/W3023385275","https://openalex.org/W1972982874","https://openalex.org/W3027876220","https://openalex.org/W2765760205","https://openalex.org/W3044962842"],"abstract_inverted_index":{"Judging":[0],"if":[1,15],"a":[2,16,31,38,70,151],"protein":[3,17,36],"is":[4,18,20,104,123],"able":[5],"to":[6,29,34,68,79,126,138,149],"bind":[7,150],"orally":[8],"available":[9],"molecules":[10],"with":[11],"high":[12],"affinity,":[13],"i.e.":[14],"druggable,":[19],"an":[21],"important":[22],"step":[23],"in":[24,88,109,136],"target":[25],"assessment.":[26],"In":[27],"order":[28],"derive":[30],"structure-based":[32,71],"method":[33,103],"predict":[35],"druggability,":[37],"comprehensive,":[39],"nonredundant":[40],"data":[41,60,63],"set":[42,64,134],"containing":[43],"crystal":[44],"structures":[45,81],"of":[46,121,131],"71":[47],"druggable":[48,52,90,93],"and":[49,59,99,113,129],"44":[50],"less":[51,92],"proteins":[53],"was":[54,65],"compiled":[55],"by":[56],"literature":[57],"search":[58],"mining.":[61],"This":[62],"subsequently":[66],"used":[67],"train":[69],"druggability":[72],"predictor":[73],"(DrugPred)":[74],"using":[75],"partial":[76],"least-squares":[77],"projection":[78],"latent":[80],"discriminant":[82],"analysis":[83],"(PLS-DA).":[84],"DrugPred":[85,122],"performed":[86],"well":[87],"discriminating":[89],"from":[91],"binding":[94,111],"sites":[95],"for":[96],"both":[97],"internal":[98],"external":[100],"predictions.":[101],"The":[102,118],"robust":[105],"against":[106],"conformational":[107],"changes":[108],"the":[110,127,132],"site":[112],"outperforms":[114],"previously":[115,140],"published":[116],"methods.":[117],"superior":[119],"performance":[120],"likely":[124],"due":[125],"size":[128],"composition":[130],"training":[133],"which,":[135],"contrast":[137],"most":[139],"developed":[141],"methods,":[142],"only":[143],"contains":[144],"cavities":[145],"that":[146],"have":[147],"evolved":[148],"natural":[152],"ligand.":[153]},"counts_by_year":[{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":11},{"year":2014,"cited_by_count":7},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":11}],"updated_date":"2026-07-02T09:51:11.867554","created_date":"2025-10-10T00:00:00"}
