{"id":"https://openalex.org/W2057692938","doi":"https://doi.org/10.1021/ci2002022","title":"Drug Effect Prediction by Polypharmacology-Based Interaction Profiling","display_name":"Drug Effect Prediction by Polypharmacology-Based Interaction Profiling","publication_year":2011,"publication_date":"2011-11-18","ids":{"openalex":"https://openalex.org/W2057692938","doi":"https://doi.org/10.1021/ci2002022","mag":"2057692938","pmid":"https://pubmed.ncbi.nlm.nih.gov/22098080"},"language":"en","primary_location":{"id":"doi:10.1021/ci2002022","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2002022","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5025875434","display_name":"Zolt\u00e1n Boldizs\u00e1r Simon","orcid":"https://orcid.org/0000-0001-8763-7415"},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":true,"raw_author_name":"Zolt\u00e1n Simon","raw_affiliation_strings":["Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary","Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary","institution_ids":[]},{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047868169","display_name":"\u00c1gnes Peragovics","orcid":null},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"\u00c1gnes Peragovics","raw_affiliation_strings":["Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary","Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary","institution_ids":[]},{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050000420","display_name":"Margit Vigh-Smeller","orcid":null},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Margit Vigh-Smeller","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025024282","display_name":"G\u00e1bor Csukly","orcid":"https://orcid.org/0000-0002-5006-9407"},"institutions":[{"id":"https://openalex.org/I101202996","display_name":"Semmelweis University","ror":"https://ror.org/01g9ty582","country_code":"HU","type":"education","lineage":["https://openalex.org/I101202996"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"G\u00e1bor Csukly","raw_affiliation_strings":["Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary","institution_ids":["https://openalex.org/I101202996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089330319","display_name":"L\u00e1szl\u00f3 Tombor","orcid":"https://orcid.org/0000-0001-9410-5732"},"institutions":[{"id":"https://openalex.org/I101202996","display_name":"Semmelweis University","ror":"https://ror.org/01g9ty582","country_code":"HU","type":"education","lineage":["https://openalex.org/I101202996"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"L\u00e1szl\u00f3 Tombor","raw_affiliation_strings":["Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary","institution_ids":["https://openalex.org/I101202996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055094699","display_name":"Zhenhui Yang","orcid":"https://orcid.org/0000-0002-5935-0107"},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Zhenhui Yang","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026017430","display_name":"Gergely Zahor\u00e1nszky-K\u00f6halmi","orcid":"https://orcid.org/0000-0002-2534-8770"},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Gergely Zahor\u00e1nszky-K\u0151halmi","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043211123","display_name":"L\u00e1szl\u00f3 V\u00e9gner","orcid":null},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"L\u00e1szl\u00f3 V\u00e9gner","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078313662","display_name":"Bal\u00e1zs Jelinek","orcid":null},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Bal\u00e1zs Jelinek","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008994658","display_name":"P\u00e9ter H\u00e1ri","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"P\u00e9ter H\u00e1ri","raw_affiliation_strings":["Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Delta Informatika, Inc., Szentendrei \u00fat 39-53, H-1033 Budapest, Hungary","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047887299","display_name":"Csaba Het\u00e9nyi","orcid":"https://orcid.org/0000-0002-8013-971X"},"institutions":[{"id":"https://openalex.org/I7597260","display_name":"Hungarian Academy of Sciences","ror":"https://ror.org/02ks8qq67","country_code":"HU","type":"funder","lineage":["https://openalex.org/I7597260"]},{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Csaba Het\u00e9nyi","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","Hungarian Academy of Sciences"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]},{"raw_affiliation_string":"Hungarian Academy of Sciences","institution_ids":["https://openalex.org/I7597260"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024434180","display_name":"Istv\u00e1n Bitter","orcid":"https://orcid.org/0000-0002-9464-4709"},"institutions":[{"id":"https://openalex.org/I101202996","display_name":"Semmelweis University","ror":"https://ror.org/01g9ty582","country_code":"HU","type":"education","lineage":["https://openalex.org/I101202996"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Istv\u00e1n Bitter","raw_affiliation_strings":["Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary","institution_ids":["https://openalex.org/I101202996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062114165","display_name":"P\u00e1l Czobor","orcid":"https://orcid.org/0000-0002-6361-8006"},"institutions":[{"id":"https://openalex.org/I101202996","display_name":"Semmelweis University","ror":"https://ror.org/01g9ty582","country_code":"HU","type":"education","lineage":["https://openalex.org/I101202996"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"P\u00e1l Czobor","raw_affiliation_strings":["Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Psychiatry and Psychotherapy, Semmelweis University, Balassa utca 6, H-1083 Budapest, Hungary","institution_ids":["https://openalex.org/I101202996"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047059933","display_name":"Andr\u00e1s M\u00e1ln\u00e1si\u2010Csizmadia","orcid":"https://orcid.org/0000-0002-2430-8398"},"institutions":[{"id":"https://openalex.org/I106118109","display_name":"E\u00f6tv\u00f6s Lor\u00e1nd University","ror":"https://ror.org/01jsq2704","country_code":"HU","type":"education","lineage":["https://openalex.org/I106118109"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"Andr\u00e1s M\u00e1ln\u00e1si-Csizmadia","raw_affiliation_strings":["Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Institute of Biology, E\u00f6tv\u00f6s Lor\u00e1nd University, P\u00e1zm\u00e1ny P\u00e9ter s\u00e9t\u00e1ny 1/C, H-1117 Budapest, Hungary","institution_ids":["https://openalex.org/I106118109"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":14,"corresponding_author_ids":["https://openalex.org/A5025875434"],"corresponding_institution_ids":["https://openalex.org/I106118109"],"apc_list":null,"apc_paid":null,"fwci":8.4642,"has_fulltext":false,"cited_by_count":65,"citation_normalized_percentile":{"value":0.98227969,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"52","issue":"1","first_page":"134","last_page":"145"},"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":0.9786999821662903,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9697999954223633,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5341020822525024},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.4897422790527344},{"id":"https://openalex.org/keywords/interaction","display_name":"Interaction","score":0.4548504948616028},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.4472730755805969},{"id":"https://openalex.org/keywords/drug-repositioning","display_name":"Drug repositioning","score":0.4384075999259949},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.43075618147850037},{"id":"https://openalex.org/keywords/drug-interaction","display_name":"Drug interaction","score":0.42104798555374146},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.41786548495292664},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3966623544692993},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.39375603199005127},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.26772892475128174},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.26000306010246277},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.19247230887413025},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18885430693626404},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.1202923059463501}],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5341020822525024},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4897422790527344},{"id":"https://openalex.org/C855514","wikidata":"https://www.wikidata.org/wiki/Q1665869","display_name":"Interaction","level":2,"score":0.4548504948616028},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.4472730755805969},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.4384075999259949},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.43075618147850037},{"id":"https://openalex.org/C97320921","wikidata":"https://www.wikidata.org/wiki/Q718753","display_name":"Drug interaction","level":3,"score":0.42104798555374146},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.41786548495292664},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3966623544692993},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.39375603199005127},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.26772892475128174},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.26000306010246277},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.19247230887413025},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18885430693626404},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.1202923059463501},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"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":"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":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054316","descriptor_name":"Biomarkers, Pharmacological","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D054316","descriptor_name":"Biomarkers, Pharmacological","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D054316","descriptor_name":"Biomarkers, Pharmacological","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055553","descriptor_name":"Prescription Drugs","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci2002022","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2002022","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:22098080","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22098080","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:repo.lib.semmelweis.hu:123456789/2117","is_oa":false,"landing_page_url":"http://repo.lib.semmelweis.hu//handle/123456789/2117","pdf_url":null,"source":{"id":"https://openalex.org/S4306402199","display_name":"Semmelweis University Repository (Semmelweis University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I101202996","host_organization_name":"Semmelweis University","host_organization_lineage":["https://openalex.org/I101202996"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.6299999952316284,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":29,"referenced_works":["https://openalex.org/W1984673823","https://openalex.org/W1986568494","https://openalex.org/W2007953805","https://openalex.org/W2009313526","https://openalex.org/W2019951137","https://openalex.org/W2025669902","https://openalex.org/W2040135138","https://openalex.org/W2042110087","https://openalex.org/W2046581055","https://openalex.org/W2058444859","https://openalex.org/W2062941476","https://openalex.org/W2067492897","https://openalex.org/W2069944571","https://openalex.org/W2071005802","https://openalex.org/W2089188080","https://openalex.org/W2120850582","https://openalex.org/W2121895929","https://openalex.org/W2122995608","https://openalex.org/W2128332459","https://openalex.org/W2130479394","https://openalex.org/W2135817448","https://openalex.org/W2138512826","https://openalex.org/W2138995863","https://openalex.org/W2154896031","https://openalex.org/W2162011385","https://openalex.org/W2165526004","https://openalex.org/W2196714401","https://openalex.org/W2219294596","https://openalex.org/W4237095724"],"related_works":["https://openalex.org/W2075879534","https://openalex.org/W4221071935","https://openalex.org/W1852608922","https://openalex.org/W2156558376","https://openalex.org/W2745208859","https://openalex.org/W2153819507","https://openalex.org/W2041883479","https://openalex.org/W2320246267","https://openalex.org/W2158819124","https://openalex.org/W3006775344"],"abstract_inverted_index":{"Most":[0],"drugs":[1,62,112],"exert":[2],"their":[3,116],"effects":[4,121],"via":[5],"multitarget":[6,14],"interactions,":[7],"as":[8],"hypothesized":[9],"by":[10],"polypharmacology.":[11],"While":[12],"these":[13],"interactions":[15,66],"are":[16],"responsible":[17],"for":[18,146],"the":[19,31,87,103,108,133,139,142],"clinical":[20],"effect":[21,51,57,91,109],"profiles":[22,49,58,95,110],"of":[23,59,70,75,96,105,111,138,141],"drugs,":[24],"current":[25],"methods":[26],"have":[27],"failed":[28],"to":[29,44,67],"uncover":[30],"complex":[32,46],"relationships":[33],"between":[34,86],"them.":[35],"Here,":[36],"we":[37],"introduce":[38],"an":[39],"approach":[40],"which":[41],"is":[42,136],"able":[43],"relate":[45],"drug-protein":[47],"interaction":[48,94,147],"with":[50],"profiles.":[52],"Structural":[53],"data":[54],"and":[55,65,93,118],"registered":[56],"all":[60],"small-molecule":[61,100],"were":[63,78,113],"collected,":[64],"a":[68,83,126],"series":[69],"nontarget":[71],"protein":[72,143],"binding":[73],"sites":[74],"each":[76],"drug":[77],"calculated.":[79],"Statistical":[80],"analyses":[81],"confirmed":[82],"close":[84],"relationship":[85],"studied":[88],"177":[89],"major":[90],"categories":[92],"ca.":[97],"1200":[98],"FDA-approved":[99],"drugs.":[101],"On":[102],"basis":[104],"this":[106],"relationship,":[107],"revealed":[114],"in":[115,125],"entirety,":[117],"hitherto":[119],"uncovered":[120],"could":[122],"be":[123],"predicted":[124],"systematic":[127],"manner.":[128],"Our":[129],"results":[130],"show":[131],"that":[132],"prediction":[134],"power":[135],"independent":[137],"composition":[140],"set":[144],"used":[145],"profile":[148],"generation.":[149]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":12},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":11},{"year":2012,"cited_by_count":5}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}