{"id":"https://openalex.org/W3048085962","doi":"https://doi.org/10.1371/journal.pcbi.1008098","title":"A machine learning and network framework to discover new indications for small molecules","display_name":"A machine learning and network framework to discover new indications for small molecules","publication_year":2020,"publication_date":"2020-08-07","ids":{"openalex":"https://openalex.org/W3048085962","doi":"https://doi.org/10.1371/journal.pcbi.1008098","mag":"3048085962","pmid":"https://pubmed.ncbi.nlm.nih.gov/32764756"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1008098","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1008098","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008098&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008098&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036395961","display_name":"Coryandar Gilvary","orcid":"https://orcid.org/0000-0001-7403-5132"},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]},{"id":"https://openalex.org/I3133345252","display_name":"Lander Institute","ror":"https://ror.org/04j1zjr14","country_code":"IL","type":"education","lineage":["https://openalex.org/I3133345252"]},{"id":"https://openalex.org/I4210100942","display_name":"Tri-Institutional PhD Program in Chemical Biology","ror":"https://ror.org/016twdg30","country_code":"US","type":"education","lineage":["https://openalex.org/I4210100942"]},{"id":"https://openalex.org/I4387153466","display_name":"Weill Cornell Medicine","ror":"https://ror.org/02r109517","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}],"countries":["IL","US"],"is_corresponding":false,"raw_author_name":"Coryandar Gilvary","raw_affiliation_strings":["Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America"],"raw_orcid":"https://orcid.org/0000-0001-7403-5132","affiliations":[{"raw_affiliation_string":"Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I3133345252","https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I4210100942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062147302","display_name":"Jamal Elkhader","orcid":"https://orcid.org/0000-0003-4138-3485"},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]},{"id":"https://openalex.org/I3133345252","display_name":"Lander Institute","ror":"https://ror.org/04j1zjr14","country_code":"IL","type":"education","lineage":["https://openalex.org/I3133345252"]},{"id":"https://openalex.org/I4210100942","display_name":"Tri-Institutional PhD Program in Chemical Biology","ror":"https://ror.org/016twdg30","country_code":"US","type":"education","lineage":["https://openalex.org/I4210100942"]},{"id":"https://openalex.org/I4387153466","display_name":"Weill Cornell Medicine","ror":"https://ror.org/02r109517","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}],"countries":["IL","US"],"is_corresponding":false,"raw_author_name":"Jamal Elkhader","raw_affiliation_strings":["Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-4138-3485","affiliations":[{"raw_affiliation_string":"Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I3133345252","https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I4210100942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068268768","display_name":"Neel S. Madhukar","orcid":"https://orcid.org/0000-0002-2907-2062"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Neel Madhukar","raw_affiliation_strings":["OneThree Biotech, New York, New York, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-2907-2062","affiliations":[{"raw_affiliation_string":"OneThree Biotech, New York, New York, United States of America","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085222875","display_name":"Claire Henchcliffe","orcid":"https://orcid.org/0000-0002-0899-3030"},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]},{"id":"https://openalex.org/I4387153466","display_name":"Weill Cornell Medicine","ror":"https://ror.org/02r109517","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Claire Henchcliffe","raw_affiliation_strings":["Department of Neurology, Weill Cornell Medicine, New York, New York, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Neurology, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009492679","display_name":"Marcus D. Goncalves","orcid":"https://orcid.org/0000-0002-0784-9248"},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]},{"id":"https://openalex.org/I4387153466","display_name":"Weill Cornell Medicine","ror":"https://ror.org/02r109517","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marcus D. Goncalves","raw_affiliation_strings":["Division of Endocrinology, Department of Medicine, Weill Cornell Medicine, New York, New York, United States of America","Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-0784-9248","affiliations":[{"raw_affiliation_string":"Division of Endocrinology, Department of Medicine, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5061702711","display_name":"Olivier Elemento","orcid":"https://orcid.org/0000-0002-8061-9617"},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]},{"id":"https://openalex.org/I3133345252","display_name":"Lander Institute","ror":"https://ror.org/04j1zjr14","country_code":"IL","type":"education","lineage":["https://openalex.org/I3133345252"]},{"id":"https://openalex.org/I4210100942","display_name":"Tri-Institutional PhD Program in Chemical Biology","ror":"https://ror.org/016twdg30","country_code":"US","type":"education","lineage":["https://openalex.org/I4210100942"]},{"id":"https://openalex.org/I4387153466","display_name":"Weill Cornell Medicine","ror":"https://ror.org/02r109517","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}],"countries":["IL","US"],"is_corresponding":true,"raw_author_name":"Olivier Elemento","raw_affiliation_strings":["Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","OneThree Biotech, New York, New York, United States of America","Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America","WorldQuant Initiative for Quantitative Prediction, Weill Cornell Medicine, New York, New York, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-8061-9617","affiliations":[{"raw_affiliation_string":"Caryl and Israel Englander Institute for Precision Medicine, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I3133345252","https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Dept. of Physiology and Biophysics, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"OneThree Biotech, New York, New York, United States of America","institution_ids":[]},{"raw_affiliation_string":"Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]},{"raw_affiliation_string":"Tri-Institutional Training Program in Computational Biology and Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I4210100942"]},{"raw_affiliation_string":"WorldQuant Initiative for Quantitative Prediction, Weill Cornell Medicine, New York, New York, United States of America","institution_ids":["https://openalex.org/I205783295","https://openalex.org/I4387153466"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5061702711"],"corresponding_institution_ids":["https://openalex.org/I205783295","https://openalex.org/I3133345252","https://openalex.org/I4210100942","https://openalex.org/I4387153466"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":1.7342,"has_fulltext":true,"cited_by_count":20,"citation_normalized_percentile":{"value":0.88195991,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"16","issue":"8","first_page":"e1008098","last_page":"e1008098"},"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.9758999943733215,"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"}},{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9728999733924866,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/drug-repositioning","display_name":"Drug repositioning","score":0.9255958199501038},{"id":"https://openalex.org/keywords/repurposing","display_name":"Repurposing","score":0.9126017689704895},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5747376680374146},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.5507647395133972},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5120404362678528},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.49398142099380493},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4370593726634979},{"id":"https://openalex.org/keywords/approved-drug","display_name":"Approved drug","score":0.43457284569740295},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.40634703636169434},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.35569140315055847},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.3475230932235718},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3400302529335022}],"concepts":[{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.9255958199501038},{"id":"https://openalex.org/C519536355","wikidata":"https://www.wikidata.org/wiki/Q21021151","display_name":"Repurposing","level":2,"score":0.9126017689704895},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5747376680374146},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.5507647395133972},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5120404362678528},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.49398142099380493},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4370593726634979},{"id":"https://openalex.org/C2777494893","wikidata":"https://www.wikidata.org/wiki/Q4781752","display_name":"Approved drug","level":3,"score":0.43457284569740295},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.40634703636169434},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.35569140315055847},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.3475230932235718},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3400302529335022},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D000978","descriptor_name":"Antiparkinson Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000978","descriptor_name":"Antiparkinson Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000978","descriptor_name":"Antiparkinson Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007004","descriptor_name":"Hypoglycemic Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007004","descriptor_name":"Hypoglycemic Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007004","descriptor_name":"Hypoglycemic Agents","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":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","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":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1371/journal.pcbi.1008098","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1008098","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008098&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},{"id":"pmid:32764756","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32764756","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:escholarship.org:ark:/13030/qt2bc1q3k2","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/2bc1q3k2","pdf_url":"https://escholarship.org/uc/item/2bc1q3k2","source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"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":"PLOS Computational Biology, vol 16, iss 8","raw_type":"article"},{"id":"pmh:oai:doaj.org/article:b1f616d0a35042f5b2341dd32c460420","is_oa":true,"landing_page_url":"https://doaj.org/article/b1f616d0a35042f5b2341dd32c460420","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":"PLoS Computational Biology, Vol 16, Iss 8, p e1008098 (2020)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7437923","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7437923","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"PLoS Comput Biol","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1008098","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1008098","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008098&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.7900000214576721,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2214230469","display_name":null,"funder_award_id":"UL1TR002384","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G3206028142","display_name":null,"funder_award_id":"P50CA211024","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G4488419819","display_name":null,"funder_award_id":"F31LM013058","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6817418157","display_name":null,"funder_award_id":"1R01CA194547","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6872890550","display_name":null,"funder_award_id":"1U24CA210989","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3048085962.pdf","grobid_xml":"https://content.openalex.org/works/W3048085962.grobid-xml"},"referenced_works_count":87,"referenced_works":["https://openalex.org/W204556058","https://openalex.org/W229097380","https://openalex.org/W1262140095","https://openalex.org/W1521406162","https://openalex.org/W1550258693","https://openalex.org/W1831050183","https://openalex.org/W1964178477","https://openalex.org/W1976314063","https://openalex.org/W1976582164","https://openalex.org/W1976595434","https://openalex.org/W1994658365","https://openalex.org/W2006617902","https://openalex.org/W2009313526","https://openalex.org/W2010457001","https://openalex.org/W2036496650","https://openalex.org/W2036646509","https://openalex.org/W2038358638","https://openalex.org/W2043238274","https://openalex.org/W2047670437","https://openalex.org/W2050688876","https://openalex.org/W2050786257","https://openalex.org/W2051370624","https://openalex.org/W2053411009","https://openalex.org/W2058088966","https://openalex.org/W2061484370","https://openalex.org/W2065169698","https://openalex.org/W2065631733","https://openalex.org/W2068060182","https://openalex.org/W2070614912","https://openalex.org/W2075745941","https://openalex.org/W2075861522","https://openalex.org/W2077804275","https://openalex.org/W2080310417","https://openalex.org/W2085813915","https://openalex.org/W2091425360","https://openalex.org/W2095857082","https://openalex.org/W2099308584","https://openalex.org/W2102273744","https://openalex.org/W2102421004","https://openalex.org/W2108192985","https://openalex.org/W2108667284","https://openalex.org/W2113072832","https://openalex.org/W2123105801","https://openalex.org/W2124003148","https://openalex.org/W2125912446","https://openalex.org/W2130249562","https://openalex.org/W2130410032","https://openalex.org/W2132351503","https://openalex.org/W2138512826","https://openalex.org/W2140141583","https://openalex.org/W2140883620","https://openalex.org/W2142499652","https://openalex.org/W2144178646","https://openalex.org/W2146992882","https://openalex.org/W2150445224","https://openalex.org/W2154299233","https://openalex.org/W2155157373","https://openalex.org/W2164247714","https://openalex.org/W2166209362","https://openalex.org/W2177317049","https://openalex.org/W2180048966","https://openalex.org/W2215033144","https://openalex.org/W2295598076","https://openalex.org/W2324588265","https://openalex.org/W2330774372","https://openalex.org/W2337916850","https://openalex.org/W2342209444","https://openalex.org/W2346950316","https://openalex.org/W2461620095","https://openalex.org/W2471171773","https://openalex.org/W2510031061","https://openalex.org/W2523010015","https://openalex.org/W2529642167","https://openalex.org/W2582743722","https://openalex.org/W2593907008","https://openalex.org/W2612602757","https://openalex.org/W2741508285","https://openalex.org/W2744025711","https://openalex.org/W2767891136","https://openalex.org/W2794420948","https://openalex.org/W2796006469","https://openalex.org/W2803561142","https://openalex.org/W2894803204","https://openalex.org/W3102476541","https://openalex.org/W4399271987","https://openalex.org/W4399581270","https://openalex.org/W4399649871"],"related_works":["https://openalex.org/W4366833264","https://openalex.org/W4402890899","https://openalex.org/W4387302591","https://openalex.org/W3161165839","https://openalex.org/W4362678272","https://openalex.org/W2903777166","https://openalex.org/W4382894598","https://openalex.org/W3048796709","https://openalex.org/W3080720024","https://openalex.org/W4281701183"],"abstract_inverted_index":{"Drug":[0],"repurposing,":[1,85],"identifying":[2],"novel":[3,180],"indications":[4],"for":[5,74,163,182,200,216],"drugs,":[6],"bypasses":[7],"common":[8],"drug":[9,60,84,109,144,184,225,233],"development":[10,234],"pitfalls":[11],"to":[12,16,64,83,137,178,224,230],"ultimately":[13],"deliver":[14],"therapies":[15,199],"patients":[17],"faster.":[18],"However,":[19],"most":[20],"repurposing":[21,33,135,141,153,226],"discoveries":[22],"have":[23,46],"been":[24,47],"led":[25],"by":[26],"anecdotal":[27],"observations":[28],"(e.g.":[29],"Viagra)":[30],"or":[31,116],"experimental-based":[32],"screens,":[34],"which":[35],"are":[36],"costly,":[37],"time-consuming,":[38],"and":[39,91,105,194],"imprecise.":[40],"Recently,":[41],"more":[42],"systematic":[43,222],"computational":[44,81],"approaches":[45],"proposed,":[48],"however":[49],"these":[50],"rely":[51],"on":[52],"utilizing":[53],"the":[54,57,69,157,164,208,228],"information":[55,93],"from":[56],"diseases":[58],"a":[59,80,95,134,213],"is":[61,98],"already":[62],"approved":[63],"treat.":[65],"This":[66,120],"inherently":[67],"limits":[68],"algorithms,":[70],"making":[71],"them":[72],"unusable":[73],"investigational":[75],"molecules.":[76],"Here,":[77],"we":[78,132,150,170,173,206],"present":[79],"approach":[82,177,223],"CATNIP,":[86,205],"that":[87,172,188],"requires":[88],"only":[89],"biological":[90],"chemical":[92],"of":[94,159,166],"molecule.":[96],"CATNIP":[97],"trained":[99],"with":[100],"2,576":[101],"diverse":[102],"small":[103],"molecules":[104],"uses":[106,181],"16":[107],"different":[108],"similarity":[110],"features,":[111],"such":[112,155],"as":[113,156,212],"structural,":[114],"target,":[115],"pathway":[117],"based":[118],"similarity.":[119],"model":[121],"obtains":[122],"significant":[123],"predictive":[124],"power":[125],"(AUC":[126],"=":[127],"0.841).":[128],"Using":[129],"our":[130,176],"model,":[131],"created":[133],"network":[136],"identify":[138,179],"broad":[139],"scale":[140],"opportunities":[142],"between":[143],"types.":[145],"By":[146],"exploiting":[147],"this":[148,221],"network,":[149],"identified":[151],"literature-supported":[152],"candidates,":[154],"use":[158,175],"systemic":[160],"hormonal":[161],"preparations":[162],"treatment":[165,215],"respiratory":[167],"illnesses.":[168],"Furthermore,":[169],"demonstrated":[171],"can":[174],"defined":[183],"classes.":[185],"We":[186],"found":[187],"adrenergic":[189],"uptake":[190],"inhibitors,":[191],"specifically":[192],"amitriptyline":[193],"trimipramine,":[195],"could":[196],"be":[197],"potential":[198],"Parkinson's":[201],"disease.":[202],"Additionally,":[203],"using":[204],"predicted":[207],"kinase":[209],"inhibitor,":[210],"vandetanib,":[211],"possible":[214],"Type":[217],"2":[218],"Diabetes.":[219],"Overall,":[220],"lays":[227],"groundwork":[229],"streamline":[231],"future":[232],"efforts.":[235]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2021,"cited_by_count":9}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
