{"id":"https://openalex.org/W3177864851","doi":"https://doi.org/10.1093/bioinformatics/btab275","title":"Predicting mechanism of action of novel compounds using compound structure and transcriptomic signature coembedding","display_name":"Predicting mechanism of action of novel compounds using compound structure and transcriptomic signature coembedding","publication_year":2021,"publication_date":"2021-04-23","ids":{"openalex":"https://openalex.org/W3177864851","doi":"https://doi.org/10.1093/bioinformatics/btab275","mag":"3177864851","pmid":"https://pubmed.ncbi.nlm.nih.gov/34252937"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btab275","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btab275","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/37/Supplement_1/i376/40671948/btab275.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/37/Supplement_1/i376/40671948/btab275.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5032707487","display_name":"Gwanghoon Jang","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Gwanghoon Jang","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100720988","display_name":"Sung\u2010Joon Park","orcid":"https://orcid.org/0000-0002-1774-9590"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sungjoon Park","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100720988","display_name":"Sung\u2010Joon Park","orcid":"https://orcid.org/0000-0002-1774-9590"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Sungjoon Park","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100320186","display_name":"Sang-Hoon Lee","orcid":"https://orcid.org/0009-0000-9828-1063"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sanghoon Lee","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000850685","display_name":"Sunkyu Kim","orcid":"https://orcid.org/0000-0002-0240-6210"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sunkyu Kim","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049029569","display_name":"Sejeong Park","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Sejeong Park","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","Interdisciplinary Graduate Program in Bioinformatics, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]},{"raw_affiliation_string":"Interdisciplinary Graduate Program in Bioinformatics, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049029569","display_name":"Sejeong Park","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sejeong Park","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076917278","display_name":"Jaewoo Kang","orcid":"https://orcid.org/0000-0001-6798-9106"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Jaewoo Kang","raw_affiliation_strings":["Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","Interdisciplinary Graduate Program in Bioinformatics, Korea University , Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]},{"raw_affiliation_string":"Interdisciplinary Graduate Program in Bioinformatics, Korea University , Seoul, Republic of Korea","institution_ids":["https://openalex.org/I197347611"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5049029569","https://openalex.org/A5076917278","https://openalex.org/A5100720988"],"corresponding_institution_ids":["https://openalex.org/I197347611"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":2.2717,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.89614729,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"37","issue":"Supplement_1","first_page":"i376","last_page":"i382"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9994000196456909,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9972000122070312,"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/computer-science","display_name":"Computer science","score":0.6637889742851257},{"id":"https://openalex.org/keywords/signature","display_name":"Signature (topology)","score":0.6290146708488464},{"id":"https://openalex.org/keywords/embedding","display_name":"Embedding","score":0.5786628127098083},{"id":"https://openalex.org/keywords/mechanism","display_name":"Mechanism (biology)","score":0.5483801364898682},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.48468855023384094},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4348491430282593},{"id":"https://openalex.org/keywords/key","display_name":"Key (lock)","score":0.4111935496330261},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.37856611609458923},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3716805577278137},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2274247705936432},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21668723225593567},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.11108475923538208},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.09188568592071533}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6637889742851257},{"id":"https://openalex.org/C2779696439","wikidata":"https://www.wikidata.org/wiki/Q7512811","display_name":"Signature (topology)","level":2,"score":0.6290146708488464},{"id":"https://openalex.org/C41608201","wikidata":"https://www.wikidata.org/wiki/Q980509","display_name":"Embedding","level":2,"score":0.5786628127098083},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.5483801364898682},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.48468855023384094},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4348491430282593},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.4111935496330261},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.37856611609458923},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3716805577278137},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2274247705936432},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21668723225593567},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11108475923538208},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09188568592071533},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"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":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btab275","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btab275","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/37/Supplement_1/i376/40671948/btab275.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:34252937","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34252937","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:8275331","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8275331","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":"Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btab275","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btab275","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/37/Supplement_1/i376/40671948/btab275.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.7200000286102295,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2025626218","display_name":null,"funder_award_id":"NRF-2014M3C9A3063541","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"},{"id":"https://openalex.org/G835223354","display_name":null,"funder_award_id":"NRF-2020R1A2C3010638","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"}],"funders":[{"id":"https://openalex.org/F4320322107","display_name":"Korea Health Industry Development Institute","ror":"https://ror.org/00fdzyk40"},{"id":"https://openalex.org/F4320322120","display_name":"National Research Foundation of Korea","ror":"https://ror.org/013aysd81"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3177864851.pdf","grobid_xml":"https://content.openalex.org/works/W3177864851.grobid-xml"},"referenced_works_count":43,"referenced_works":["https://openalex.org/W1483118642","https://openalex.org/W1522301498","https://openalex.org/W1989277387","https://openalex.org/W2020541351","https://openalex.org/W2026542427","https://openalex.org/W2086286404","https://openalex.org/W2094176583","https://openalex.org/W2100980426","https://openalex.org/W2121604817","https://openalex.org/W2130410032","https://openalex.org/W2134967712","https://openalex.org/W2345356016","https://openalex.org/W2559588208","https://openalex.org/W2568779902","https://openalex.org/W2612467560","https://openalex.org/W2785947426","https://openalex.org/W2786672974","https://openalex.org/W2805837749","https://openalex.org/W2910111050","https://openalex.org/W2918086501","https://openalex.org/W2935426292","https://openalex.org/W2944974555","https://openalex.org/W2952391626","https://openalex.org/W2963248801","https://openalex.org/W2964121744","https://openalex.org/W2979832776","https://openalex.org/W2982434722","https://openalex.org/W2984063066","https://openalex.org/W3019745511","https://openalex.org/W3041614998","https://openalex.org/W3077914340","https://openalex.org/W3102147110","https://openalex.org/W3107798042","https://openalex.org/W3109313148","https://openalex.org/W4233620036","https://openalex.org/W4233698560","https://openalex.org/W4234552385","https://openalex.org/W4247513463","https://openalex.org/W6631190155","https://openalex.org/W6732085513","https://openalex.org/W6748816842","https://openalex.org/W6768947953","https://openalex.org/W6769722058"],"related_works":["https://openalex.org/W2081900870","https://openalex.org/W2382997850","https://openalex.org/W2390968135","https://openalex.org/W2037549926","https://openalex.org/W2382213751","https://openalex.org/W2345479200","https://openalex.org/W2351750670","https://openalex.org/W1597848696","https://openalex.org/W1671124163","https://openalex.org/W2413467815"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":4}],"updated_date":"2026-04-13T06:00:40.992929","created_date":"2025-10-10T00:00:00"}