{"id":"https://openalex.org/W2919134736","doi":"https://doi.org/10.1186/s13321-019-0337-8","title":"Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling","display_name":"Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling","publication_year":2019,"publication_date":"2019-02-14","ids":{"openalex":"https://openalex.org/W2919134736","doi":"https://doi.org/10.1186/s13321-019-0337-8","mag":"2919134736","pmid":"https://pubmed.ncbi.nlm.nih.gov/30767155"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-019-0337-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-019-0337-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0337-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0337-8","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030165076","display_name":"Lindsey Burggraaff","orcid":"https://orcid.org/0000-0002-2442-0443"},"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":true,"raw_author_name":"Lindsey Burggraaff","raw_affiliation_strings":["Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025741297","display_name":"Paul Oranje","orcid":"https://orcid.org/0000-0002-1481-7412"},"institutions":[{"id":"https://openalex.org/I4210113155","display_name":"Unilever (Netherlands)","ror":"https://ror.org/02436cs38","country_code":"NL","type":"company","lineage":["https://openalex.org/I1342131907","https://openalex.org/I4210113155"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Paul Oranje","raw_affiliation_strings":["Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands","institution_ids":["https://openalex.org/I4210113155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052690171","display_name":"Robin J. Gouka","orcid":null},"institutions":[{"id":"https://openalex.org/I4210113155","display_name":"Unilever (Netherlands)","ror":"https://ror.org/02436cs38","country_code":"NL","type":"company","lineage":["https://openalex.org/I1342131907","https://openalex.org/I4210113155"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Robin Gouka","raw_affiliation_strings":["Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands","institution_ids":["https://openalex.org/I4210113155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089955621","display_name":"Pieter Pijl","orcid":null},"institutions":[{"id":"https://openalex.org/I4210113155","display_name":"Unilever (Netherlands)","ror":"https://ror.org/02436cs38","country_code":"NL","type":"company","lineage":["https://openalex.org/I1342131907","https://openalex.org/I4210113155"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Pieter van der Pijl","raw_affiliation_strings":["Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands","institution_ids":["https://openalex.org/I4210113155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036579788","display_name":"Marian Geldof","orcid":null},"institutions":[{"id":"https://openalex.org/I4210113155","display_name":"Unilever (Netherlands)","ror":"https://ror.org/02436cs38","country_code":"NL","type":"company","lineage":["https://openalex.org/I1342131907","https://openalex.org/I4210113155"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Marian Geldof","raw_affiliation_strings":["Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Unilever Research & Development, Olivier van Noortlaan 120, 3133 AT, Vlaardingen, The Netherlands","institution_ids":["https://openalex.org/I4210113155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015253529","display_name":"Herman van Vlijmen","orcid":"https://orcid.org/0000-0002-1915-3141"},"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/I137982388","display_name":"Janssen (Belgium)","ror":"https://ror.org/04yzcpd71","country_code":"BE","type":"company","lineage":["https://openalex.org/I1330063522","https://openalex.org/I137982388"]},{"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":["BE","NL"],"is_corresponding":false,"raw_author_name":"Herman W. T. van Vlijmen","raw_affiliation_strings":["Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands","Janssen Research & Development, Turnhoutseweg 30, 2340, Beerse, Belgium"],"affiliations":[{"raw_affiliation_string":"Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]},{"raw_affiliation_string":"Janssen Research & Development, Turnhoutseweg 30, 2340, Beerse, Belgium","institution_ids":["https://openalex.org/I137982388"]}]},{"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/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":"Adriaan P. IJzerman","raw_affiliation_strings":["Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, 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/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":"Gerard J. P. van Westen","raw_affiliation_strings":["Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands. gerard@lacdr.leidenuniv.nl","Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands. gerard@lacdr.leidenuniv.nl","institution_ids":[]},{"raw_affiliation_string":"Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands","institution_ids":["https://openalex.org/I4210133171","https://openalex.org/I121797337"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5030165076"],"corresponding_institution_ids":["https://openalex.org/I121797337","https://openalex.org/I4210133171"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":2.2316,"has_fulltext":true,"cited_by_count":27,"citation_normalized_percentile":{"value":0.88281289,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":98},"biblio":{"volume":"11","issue":"1","first_page":"15","last_page":"15"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10401","display_name":"Diabetes Treatment and Management","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10401","display_name":"Diabetes Treatment and Management","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.9872999787330627,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.9739000201225281,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/transporter","display_name":"Transporter","score":0.6374002695083618},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5980086922645569},{"id":"https://openalex.org/keywords/glucose-transporter","display_name":"Glucose transporter","score":0.5956783890724182},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.5461772680282593},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.4651426374912262},{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.44120508432388306},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.43039563298225403},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.38764211535453796},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.3235272467136383},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.2793505787849426},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2577129006385803},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.224644273519516},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22040751576423645},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.19387635588645935},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.18197846412658691}],"concepts":[{"id":"https://openalex.org/C149011108","wikidata":"https://www.wikidata.org/wiki/Q652985","display_name":"Transporter","level":3,"score":0.6374002695083618},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5980086922645569},{"id":"https://openalex.org/C161573976","wikidata":"https://www.wikidata.org/wiki/Q420277","display_name":"Glucose transporter","level":3,"score":0.5956783890724182},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.5461772680282593},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.4651426374912262},{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.44120508432388306},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.43039563298225403},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.38764211535453796},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.3235272467136383},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2793505787849426},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2577129006385803},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.224644273519516},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22040751576423645},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.19387635588645935},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.18197846412658691},{"id":"https://openalex.org/C2779306644","wikidata":"https://www.wikidata.org/wiki/Q2002370","display_name":"Insulin","level":2,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1186/s13321-019-0337-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-019-0337-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0337-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:30767155","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30767155","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 cheminformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:b9669e4d11ac4a33aff529bb88597da9","is_oa":true,"landing_page_url":"https://doaj.org/article/b9669e4d11ac4a33aff529bb88597da9","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-10 (2019)","raw_type":"article"},{"id":"pmh:oai:openaccess.leidenuniv.nl:1887/71024","is_oa":true,"landing_page_url":"http://hdl.handle.net/1887/71024","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":"11","raw_type":"Article / Letter to editor"},{"id":"pmh:oai:pubmedcentral.nih.gov:6689890","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6689890","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:scholarlypublications.universiteitleiden.nl:item_2978233","is_oa":true,"landing_page_url":"https://hdl.handle.net/1887/71024","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":"Journal of Cheminformatics","raw_type":"Article / Letter to editor"}],"best_oa_location":{"id":"doi:10.1186/s13321-019-0337-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-019-0337-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0337-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Life in Land","id":"https://metadata.un.org/sdg/15","score":0.4399999976158142}],"awards":[{"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"},{"id":"https://openalex.org/G5158533419","display_name":null,"funder_award_id":"VENI 14410","funder_id":"https://openalex.org/F4320321800","funder_display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek"},{"id":"https://openalex.org/G629491556","display_name":null,"funder_award_id":"(NWO)","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/W2919134736.pdf","grobid_xml":"https://content.openalex.org/works/W2919134736.grobid-xml"},"referenced_works_count":39,"referenced_works":["https://openalex.org/W959778778","https://openalex.org/W1540105270","https://openalex.org/W1946307024","https://openalex.org/W1975875968","https://openalex.org/W1982131304","https://openalex.org/W1991001144","https://openalex.org/W1995530068","https://openalex.org/W2000047428","https://openalex.org/W2021110947","https://openalex.org/W2024213882","https://openalex.org/W2083387652","https://openalex.org/W2096541451","https://openalex.org/W2100076566","https://openalex.org/W2121911364","https://openalex.org/W2127322768","https://openalex.org/W2133469996","https://openalex.org/W2135514341","https://openalex.org/W2135732933","https://openalex.org/W2141228342","https://openalex.org/W2149906170","https://openalex.org/W2153405690","https://openalex.org/W2162830271","https://openalex.org/W2165956693","https://openalex.org/W2187089797","https://openalex.org/W2191975304","https://openalex.org/W2304389785","https://openalex.org/W2316533333","https://openalex.org/W2397061303","https://openalex.org/W2558999090","https://openalex.org/W2563224755","https://openalex.org/W2608481654","https://openalex.org/W2769068104","https://openalex.org/W2770478746","https://openalex.org/W2771561886","https://openalex.org/W2788841106","https://openalex.org/W2883581800","https://openalex.org/W2902642226","https://openalex.org/W2950897586","https://openalex.org/W2964801204"],"related_works":["https://openalex.org/W3180887190","https://openalex.org/W2320211095","https://openalex.org/W3193043704","https://openalex.org/W4386259002","https://openalex.org/W1976259407","https://openalex.org/W79039309","https://openalex.org/W2013705368","https://openalex.org/W2096323324","https://openalex.org/W2337942021","https://openalex.org/W2017996710"],"abstract_inverted_index":{"Sodium-dependent":[0],"glucose":[1,12,31,75],"co-transporter":[2,32],"1":[3],"(SGLT1)":[4],"is":[5,15,38,47,105,214,234],"a":[6,35,94,125,129,194,235],"solute":[7],"carrier":[8],"responsible":[9],"for":[10,57,107,187,238,256],"active":[11,240],"absorption.":[13],"SGLT1":[14,59,78,88,176,233],"present":[16],"in":[17,40,50,79,90,170,190,201,250],"both":[18,58],"the":[19,27,41,51,68,80,179,202,207,217,224],"renal":[20,52],"tubules":[21],"and":[22,60,116,154],"small":[23,241,254],"intestine.":[24],"In":[25],"contrast,":[26],"closely":[28],"related":[29],"sodium-dependent":[30],"2":[33],"(SGLT2),":[34],"protein":[36],"that":[37,98],"targeted":[39,71],"treatment":[42],"of":[43,114,131,136,143,150,158,197,220,232,252],"diabetes":[44],"type":[45],"II,":[46],"only":[48],"expressed":[49],"tubules.":[53],"Although":[54],"dual":[55],"inhibitors":[56,89],"SGLT2":[61],"have":[62],"been":[63],"developed,":[64],"no":[65],"drugs":[66],"on":[67],"market":[69],"are":[70],"at":[72,86],"decreasing":[73],"dietary":[74],"uptake":[76],"by":[77,92,112,216],"gastrointestinal":[81],"tract.":[82],"Here":[83],"we":[84,166],"aim":[85],"identifying":[87,239],"silico":[91],"applying":[93],"machine":[95],"learning":[96],"approach":[97],"does":[99],"not":[100],"require":[101],"structural":[102],"information,":[103],"which":[104,213],"absent":[106],"SGLT1.":[108],"We":[109,123],"applied":[110,167,249],"proteochemometrics":[111],"implementation":[113],"compound-":[115],"protein-based":[117],"information":[118],"into":[119],"random":[120],"forest":[121],"models.":[122],"obtained":[124],"predictive":[126,141,148],"model":[127,164,169],"with":[128,199,223],"sensitivity":[130],"0.64":[132],"\u00b1":[133,138,145,152,160],"0.06,":[134],"specificity":[135],"0.93":[137],"0.01,":[139,153],"positive":[140],"value":[142,149],"0.47":[144],"0.07,":[146],"negative":[147],"0.96":[151],"Matthews":[155],"correlation":[156],"coefficient":[157],"0.49":[159],"0.05.":[161],"Subsequent":[162],"to":[163,173,193],"training,":[165],"our":[168],"virtual":[171],"screening":[172],"identify":[174],"novel":[175,211,253],"inhibitors.":[177],"Of":[178],"77":[180],"tested":[181],"compounds,":[182],"30":[183],"were":[184],"experimentally":[185],"confirmed":[186],"SGLT1-inhibiting":[188],"activity":[189],"vitro,":[191],"leading":[192],"hit":[195,208],"rate":[196],"39%":[198],"activities":[200],"low":[203,218],"micromolar":[204],"range.":[205],"Moreover,":[206],"compounds":[209,222],"included":[210],"molecules,":[212],"reflected":[215],"similarity":[219],"these":[221],"training":[225],"set":[226],"(<":[227],"0.3).":[228],"Conclusively,":[229],"proteochemometric":[230],"modeling":[231],"viable":[236],"strategy":[237],"molecules.":[242],"Therefore,":[243],"this":[244],"method":[245],"may":[246],"also":[247],"be":[248],"detection":[251],"molecules":[255],"other":[257],"transporter":[258],"proteins.":[259]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":3}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}