{"id":"https://openalex.org/W2044542784","doi":"https://doi.org/10.1021/ci800344p","title":"Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis","display_name":"Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis","publication_year":2009,"publication_date":"2009-01-13","ids":{"openalex":"https://openalex.org/W2044542784","doi":"https://doi.org/10.1021/ci800344p","mag":"2044542784","pmid":"https://pubmed.ncbi.nlm.nih.gov/19434832"},"language":"en","primary_location":{"id":"doi:10.1021/ci800344p","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci800344p","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/A5048611593","display_name":"Josef Scheiber","orcid":"https://orcid.org/0000-0001-6427-480X"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Josef Scheiber","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100427284","display_name":"Bin Chen","orcid":"https://orcid.org/0000-0001-8709-2419"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Bin Chen","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024524655","display_name":"Mariusz Milik","orcid":"https://orcid.org/0000-0002-1787-9889"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Mariusz Milik","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062753142","display_name":"Sai Chetan K. Sukuru","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Sai Chetan K. Sukuru","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103634792","display_name":"\u0414. \u0410. \u041c\u0438\u0445\u0430\u0439\u043b\u043e\u0432","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Dmitri Mikhailov","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016292122","display_name":"Steven Whitebread","orcid":"https://orcid.org/0000-0001-9295-1396"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Steven Whitebread","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008487050","display_name":"Jacques Hamon","orcid":"https://orcid.org/0009-0000-7745-7437"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Jacques Hamon","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022879238","display_name":"Khalil Azzaoui","orcid":"https://orcid.org/0000-0003-0202-0112"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Kamal Azzaoui","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057748431","display_name":"L\u00e1szl\u00f3 Urb\u00e1n","orcid":"https://orcid.org/0000-0002-1275-0293"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Laszlo Urban","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110421667","display_name":"Meir Glick","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Meir Glick","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102842893","display_name":"John W. Davies","orcid":"https://orcid.org/0009-0008-1593-9324"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"John W. Davies","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009211876","display_name":"Jeremy L. Jenkins","orcid":"https://orcid.org/0000-0001-9795-0771"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Jeremy L. Jenkins","raw_affiliation_strings":["Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Lead Discovery Informatics and Preclinical Safety Profiling, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, and Preclinical Safety Profiling and Molecular Libraries Informatics, CPC, Novartis Pharma AG, Forum 1, 4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":13,"corresponding_author_ids":["https://openalex.org/A5048611593"],"corresponding_institution_ids":["https://openalex.org/I1283582996"],"apc_list":null,"apc_paid":null,"fwci":20.2241,"has_fulltext":false,"cited_by_count":154,"citation_normalized_percentile":{"value":0.99690166,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"49","issue":"2","first_page":"308","last_page":"317"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9950000047683716,"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":0.9950000047683716,"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9535999894142151,"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"}},{"id":"https://openalex.org/T10949","display_name":"Genetic Neurodegenerative Diseases","score":0.9092000126838684,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/repurposing","display_name":"Repurposing","score":0.8420692682266235},{"id":"https://openalex.org/keywords/drug-repositioning","display_name":"Drug repositioning","score":0.7217315435409546},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6236949563026428},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5922097563743591},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.5605505704879761},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5448704361915588},{"id":"https://openalex.org/keywords/systems-biology","display_name":"Systems biology","score":0.516279399394989},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4172065556049347},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.37760186195373535},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3368988037109375},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.323722243309021}],"concepts":[{"id":"https://openalex.org/C519536355","wikidata":"https://www.wikidata.org/wiki/Q21021151","display_name":"Repurposing","level":2,"score":0.8420692682266235},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.7217315435409546},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6236949563026428},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5922097563743591},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.5605505704879761},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5448704361915588},{"id":"https://openalex.org/C152662350","wikidata":"https://www.wikidata.org/wiki/Q815297","display_name":"Systems biology","level":2,"score":0.516279399394989},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4172065556049347},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.37760186195373535},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3368988037109375},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.323722243309021},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D007022","descriptor_name":"Hypotension","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D007022","descriptor_name":"Hypotension","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D007022","descriptor_name":"Hypotension","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D012206","descriptor_name":"Rhabdomyolysis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D012206","descriptor_name":"Rhabdomyolysis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D012206","descriptor_name":"Rhabdomyolysis","qualifier_ui":"Q000139","qualifier_name":"chemically induced","is_major_topic":false},{"descriptor_ui":"D049490","descriptor_name":"Systems Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D049490","descriptor_name":"Systems Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D049490","descriptor_name":"Systems Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064420","descriptor_name":"Drug-Related Side Effects and Adverse Reactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci800344p","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci800344p","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:19434832","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19434832","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}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.7200000286102295}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W1544009106","https://openalex.org/W1560686237","https://openalex.org/W1577804622","https://openalex.org/W1652672991","https://openalex.org/W1971357275","https://openalex.org/W1971387816","https://openalex.org/W1972678028","https://openalex.org/W1976358806","https://openalex.org/W1978253274","https://openalex.org/W1979845492","https://openalex.org/W1984673823","https://openalex.org/W1984807385","https://openalex.org/W1990676371","https://openalex.org/W1993183130","https://openalex.org/W2005802272","https://openalex.org/W2007563528","https://openalex.org/W2009313526","https://openalex.org/W2019821393","https://openalex.org/W2021737034","https://openalex.org/W2027140876","https://openalex.org/W2033868806","https://openalex.org/W2036917224","https://openalex.org/W2039997415","https://openalex.org/W2040135138","https://openalex.org/W2040826404","https://openalex.org/W2041097104","https://openalex.org/W2041133307","https://openalex.org/W2043014029","https://openalex.org/W2043214395","https://openalex.org/W2045750428","https://openalex.org/W2048384644","https://openalex.org/W2051922899","https://openalex.org/W2055100052","https://openalex.org/W2063379654","https://openalex.org/W2069444364","https://openalex.org/W2089589794","https://openalex.org/W2093313266","https://openalex.org/W2095549405","https://openalex.org/W2098013749","https://openalex.org/W2099536767","https://openalex.org/W2112912103","https://openalex.org/W2113927644","https://openalex.org/W2116888132","https://openalex.org/W2122995608","https://openalex.org/W2124807171","https://openalex.org/W2131272506","https://openalex.org/W2137827821","https://openalex.org/W2139196151","https://openalex.org/W2148824036","https://openalex.org/W2164664723","https://openalex.org/W2168147607","https://openalex.org/W2169259339","https://openalex.org/W2170146596","https://openalex.org/W2170250016","https://openalex.org/W2212804072","https://openalex.org/W2219558388","https://openalex.org/W3191258567","https://openalex.org/W4231967437"],"related_works":["https://openalex.org/W2899096130","https://openalex.org/W3190782215","https://openalex.org/W2902729297","https://openalex.org/W3110500039","https://openalex.org/W4255531208","https://openalex.org/W4320009247","https://openalex.org/W4206422705","https://openalex.org/W3186872001","https://openalex.org/W3174741986","https://openalex.org/W4389861022"],"abstract_inverted_index":{"We":[0,59],"present":[1],"a":[2,24,30,73],"workflow":[3],"that":[4,28],"leverages":[5],"data":[6,67],"from":[7],"chemogenomics":[8],"based":[9],"target":[10],"predictions":[11],"with":[12,41,65],"Systems":[13],"Biology":[14],"databases":[15],"to":[16,50,70,97,112],"better":[17,98],"understand":[18,99],"off-target":[19],"related":[20],"toxicities.":[21],"By":[22],"analyzing":[23],"set":[25],"of":[26,101],"compounds":[27,46,103],"share":[29],"common":[31],"toxic":[32],"phenotype":[33],"and":[34,55,88],"by":[35,44],"comparing":[36],"the":[37,84],"pathways":[38,42,54,80],"they":[39],"affect":[40],"modulated":[43],"nontoxic":[45],"we":[47],"are":[48,81],"able":[49],"establish":[51],"links":[52],"between":[53],"particular":[56],"adverse":[57],"effects.":[58],"further":[60],"link":[61],"these":[62],"predictive":[63],"results":[64],"literature":[66],"in":[68],"order":[69],"explain":[71],"why":[72],"certain":[74],"pathway":[75],"is":[76,93],"predicted.":[77],"Specifically,":[78],"relevant":[79],"elucidated":[82],"for":[83,108,116],"side":[85],"effects":[86],"rhabdomyolysis":[87],"hypotension.":[89],"Prospectively,":[90],"our":[91],"approach":[92],"valuable":[94],"not":[95],"only":[96],"toxicities":[100],"novel":[102,114],"early":[104],"on":[105],"but":[106],"also":[107],"drug":[109],"repurposing":[110],"exercises":[111],"find":[113],"uses":[115],"known":[117],"drugs.":[118]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":9},{"year":2018,"cited_by_count":8},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":20},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":16},{"year":2012,"cited_by_count":17}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}