{"id":"https://openalex.org/W2019974881","doi":"https://doi.org/10.1371/journal.pcbi.1000938","title":"Drug Off-Target Effects Predicted Using Structural Analysis in the Context of a Metabolic Network Model","display_name":"Drug Off-Target Effects Predicted Using Structural Analysis in the Context of a Metabolic Network Model","publication_year":2010,"publication_date":"2010-09-23","ids":{"openalex":"https://openalex.org/W2019974881","doi":"https://doi.org/10.1371/journal.pcbi.1000938","mag":"2019974881","pmid":"https://pubmed.ncbi.nlm.nih.gov/20957118"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1000938","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000938","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000938&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.1000938&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5060256253","display_name":"Roger L. Chang","orcid":"https://orcid.org/0000-0003-1630-6584"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Roger L. Chang","raw_affiliation_strings":["Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051041953","display_name":"Li Xie","orcid":"https://orcid.org/0000-0003-3658-2535"},"institutions":[{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]},{"id":"https://openalex.org/I181653535","display_name":"San Diego Supercomputer Center","ror":"https://ror.org/04mg3nk07","country_code":"US","type":"facility","lineage":["https://openalex.org/I181653535","https://openalex.org/I36258959"]},{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Li Xie","raw_affiliation_strings":["San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America","Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California-San Diego, La Jolla, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I181653535","https://openalex.org/I36258959"]},{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California-San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I6750721","https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066245750","display_name":"Lei Xie","orcid":"https://orcid.org/0000-0001-9051-2111"},"institutions":[{"id":"https://openalex.org/I181653535","display_name":"San Diego Supercomputer Center","ror":"https://ror.org/04mg3nk07","country_code":"US","type":"facility","lineage":["https://openalex.org/I181653535","https://openalex.org/I36258959"]},{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lei Xie","raw_affiliation_strings":["San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America","San Diego Supercomputer Center, University of California, San Diego, La Jolla, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I181653535","https://openalex.org/I36258959"]},{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"San Diego Supercomputer Center, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I181653535","https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075833022","display_name":"Philip E. Bourne","orcid":"https://orcid.org/0000-0002-7618-7292"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]},{"id":"https://openalex.org/I181653535","display_name":"San Diego Supercomputer Center","ror":"https://ror.org/04mg3nk07","country_code":"US","type":"facility","lineage":["https://openalex.org/I181653535","https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Philip E. Bourne","raw_affiliation_strings":["San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I181653535","https://openalex.org/I36258959"]},{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051097609","display_name":"Bernhard \u00d8. Palsson","orcid":"https://orcid.org/0000-0003-2357-6785"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Bernhard \u00d8. Palsson","raw_affiliation_strings":["Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5051097609"],"corresponding_institution_ids":["https://openalex.org/I36258959"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":9.6626,"has_fulltext":true,"cited_by_count":208,"citation_normalized_percentile":{"value":0.98760642,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":100},"biblio":{"volume":"6","issue":"9","first_page":"e1000938","last_page":"e1000938"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9980000257492065,"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"}},"topics":[{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9980000257492065,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9842000007629395,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9779000282287598,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.7157073616981506},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7100733518600464},{"id":"https://openalex.org/keywords/systems-biology","display_name":"Systems biology","score":0.6553400754928589},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6492694020271301},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6208084225654602},{"id":"https://openalex.org/keywords/systems-medicine","display_name":"Systems medicine","score":0.5440442562103271},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4806710183620453},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.47617143392562866},{"id":"https://openalex.org/keywords/personalized-medicine","display_name":"Personalized medicine","score":0.467647522687912},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.41636645793914795},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.4110000431537628},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.34835001826286316},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.3380143940448761},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.17150303721427917},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.13298562169075012}],"concepts":[{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.7157073616981506},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7100733518600464},{"id":"https://openalex.org/C152662350","wikidata":"https://www.wikidata.org/wiki/Q815297","display_name":"Systems biology","level":2,"score":0.6553400754928589},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6492694020271301},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6208084225654602},{"id":"https://openalex.org/C36415437","wikidata":"https://www.wikidata.org/wiki/Q7663871","display_name":"Systems medicine","level":3,"score":0.5440442562103271},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4806710183620453},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.47617143392562866},{"id":"https://openalex.org/C32220436","wikidata":"https://www.wikidata.org/wiki/Q2072214","display_name":"Personalized medicine","level":2,"score":0.467647522687912},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.41636645793914795},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.4110000431537628},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.34835001826286316},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.3380143940448761},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.17150303721427917},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.13298562169075012},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","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":"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":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007668","descriptor_name":"Kidney","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007674","descriptor_name":"Kidney Diseases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007674","descriptor_name":"Kidney Diseases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007674","descriptor_name":"Kidney Diseases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007677","descriptor_name":"Kidney Function Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007677","descriptor_name":"Kidney Function Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007677","descriptor_name":"Kidney Function Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D011804","descriptor_name":"Quinolines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011804","descriptor_name":"Quinolines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011804","descriptor_name":"Quinolines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","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":"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":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020543","descriptor_name":"Proteome","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020869","descriptor_name":"Gene Expression Profiling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020869","descriptor_name":"Gene Expression Profiling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020869","descriptor_name":"Gene Expression Profiling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":7,"locations":[{"id":"doi:10.1371/journal.pcbi.1000938","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000938","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000938&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:20957118","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20957118","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:academicworks.cuny.edu:hc_pubs-1535","is_oa":true,"landing_page_url":"https://academicworks.cuny.edu/hc_pubs/497","pdf_url":"https://academicworks.cuny.edu/cgi/viewcontent.cgi?article=1535&context=hc_pubs","source":{"id":"https://openalex.org/S4377196304","display_name":"CUNY Academic Works (City University of New York)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I174216632","host_organization_name":"City University of New York","host_organization_lineage":["https://openalex.org/I174216632"],"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":"Publications and Research","raw_type":"article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.351.9193","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.351.9193","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/8d/bf/PLoS_Comput_Biol_2010_Sep_23_6(9)_e1000938.tar.gz","raw_type":"text"},{"id":"pmh:oai:doaj.org/article:411025646d134aacb96038b54f586b96","is_oa":false,"landing_page_url":"https://doaj.org/article/411025646d134aacb96038b54f586b96","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 6, Iss 9, p e1000938 (2010)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/141500","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Drug_Off_Target_Effects_Predicted_Using_Structural_Analysis_in_the_Context_of_a_Metabolic_Network_Model/141500","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"},{"id":"pmh:oai:pubmedcentral.nih.gov:2950675","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2950675","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.1000938","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000938","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000938&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,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1068637249","display_name":"IGERT Plant System Biology Interdisciplinary Graduate Training Program","funder_award_id":"0504645","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8377859136","display_name":null,"funder_award_id":"GM078596","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"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/W2019974881.pdf","grobid_xml":"https://content.openalex.org/works/W2019974881.grobid-xml"},"referenced_works_count":94,"referenced_works":["https://openalex.org/W1510331108","https://openalex.org/W1526205344","https://openalex.org/W1550224385","https://openalex.org/W1585150602","https://openalex.org/W1971364834","https://openalex.org/W1972821149","https://openalex.org/W1975147762","https://openalex.org/W1977683408","https://openalex.org/W1978290051","https://openalex.org/W1984960406","https://openalex.org/W1993331119","https://openalex.org/W1997219424","https://openalex.org/W2000231382","https://openalex.org/W2000869327","https://openalex.org/W2002420413","https://openalex.org/W2004340874","https://openalex.org/W2005515485","https://openalex.org/W2005795571","https://openalex.org/W2014012542","https://openalex.org/W2014137262","https://openalex.org/W2015147525","https://openalex.org/W2017977879","https://openalex.org/W2018643387","https://openalex.org/W2020435311","https://openalex.org/W2021164080","https://openalex.org/W2026812686","https://openalex.org/W2028786373","https://openalex.org/W2033031463","https://openalex.org/W2033591223","https://openalex.org/W2036438850","https://openalex.org/W2039084196","https://openalex.org/W2040154491","https://openalex.org/W2040686911","https://openalex.org/W2041932634","https://openalex.org/W2046365822","https://openalex.org/W2047125774","https://openalex.org/W2048018407","https://openalex.org/W2048760408","https://openalex.org/W2052884895","https://openalex.org/W2055019757","https://openalex.org/W2055043387","https://openalex.org/W2059546521","https://openalex.org/W2061426837","https://openalex.org/W2063992255","https://openalex.org/W2069326021","https://openalex.org/W2073095087","https://openalex.org/W2074192927","https://openalex.org/W2074250670","https://openalex.org/W2076764146","https://openalex.org/W2082530835","https://openalex.org/W2083011190","https://openalex.org/W2083767215","https://openalex.org/W2084130233","https://openalex.org/W2087029263","https://openalex.org/W2089970906","https://openalex.org/W2090882459","https://openalex.org/W2095063535","https://openalex.org/W2095556056","https://openalex.org/W2096728724","https://openalex.org/W2098824895","https://openalex.org/W2101661070","https://openalex.org/W2103683906","https://openalex.org/W2104108767","https://openalex.org/W2107146663","https://openalex.org/W2108297214","https://openalex.org/W2109781622","https://openalex.org/W2117416880","https://openalex.org/W2119739932","https://openalex.org/W2120242787","https://openalex.org/W2121871438","https://openalex.org/W2127872845","https://openalex.org/W2130969262","https://openalex.org/W2133114049","https://openalex.org/W2133448042","https://openalex.org/W2133474020","https://openalex.org/W2134967712","https://openalex.org/W2138785628","https://openalex.org/W2144739178","https://openalex.org/W2145443644","https://openalex.org/W2145735800","https://openalex.org/W2147472054","https://openalex.org/W2154061034","https://openalex.org/W2156828729","https://openalex.org/W2160697532","https://openalex.org/W2162666840","https://openalex.org/W2188196872","https://openalex.org/W2330768369","https://openalex.org/W2336006920","https://openalex.org/W2415705275","https://openalex.org/W2942498833","https://openalex.org/W3139387189","https://openalex.org/W4238101851","https://openalex.org/W4247781085","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2378982100","https://openalex.org/W2034718166","https://openalex.org/W2185904291","https://openalex.org/W2169478906","https://openalex.org/W4232208290","https://openalex.org/W4386563820","https://openalex.org/W2063125629","https://openalex.org/W1511119527","https://openalex.org/W4233388905","https://openalex.org/W2140327348"],"abstract_inverted_index":{"Recent":[0],"advances":[1],"in":[2,20,51,72,85,105,113,119],"structural":[3,168],"bioinformatics":[4],"have":[5,97],"enabled":[6],"the":[7,27,60,65,73,114],"prediction":[8,25],"of":[9,26,30,38,64,75,167],"protein-drug":[10],"off-targets":[11,93],"based":[12],"on":[13],"their":[14],"ligand":[15],"binding":[16],"sites.":[17],"Concurrent":[18],"developments":[19],"systems":[21,170,178],"biology":[22,171],"allow":[23],"for":[24,45,125,187],"functional":[28],"effects":[29,117],"system":[31],"perturbations":[32],"using":[33],"large-scale":[34],"network":[35],"models.":[36],"Integration":[37],"these":[39],"two":[40],"capabilities":[41],"provides":[42],"a":[43,111,153,164,173],"framework":[44],"evaluating":[46],"metabolic":[47,80,139],"drug":[48,89,92,126,159,188],"response":[49],"phenotypes":[50],"silico.":[52],"This":[53,161],"combined":[54],"approach":[55],"was":[56,83],"applied":[57],"to":[58,87,101,133,151],"investigate":[59],"hypertensive":[61],"side":[62,116],"effect":[63],"cholesteryl":[66],"ester":[67],"transfer":[68],"protein":[69],"inhibitor":[70],"torcetrapib":[71],"context":[74],"human":[76],"renal":[77,103,138,154],"function.":[78],"A":[79],"kidney":[81],"model":[82],"generated":[84],"which":[86],"simulate":[88],"treatment.":[90,160],"Causal":[91],"were":[94,128],"predicted":[95,130],"that":[96,131,147],"previously":[98],"been":[99],"observed":[100,118],"impact":[102],"function":[104],"gene-deficient":[106],"patients":[107],"and":[108,136,169,172,190],"may":[109],"play":[110],"role":[112],"adverse":[115],"clinical":[120],"trials.":[121],"Genetic":[122],"risk":[123],"factors":[124],"treatment":[127],"also":[129],"correspond":[132],"both":[134],"characterized":[135],"unknown":[137],"disorders":[140],"as":[141,143],"well":[142],"cryptic":[144],"genetic":[145],"deficiencies":[146],"are":[148],"not":[149],"expected":[150],"exhibit":[152],"disorder":[155],"phenotype":[156],"except":[157],"under":[158],"study":[162],"represents":[163],"novel":[165],"integration":[166],"first":[174],"step":[175],"towards":[176],"computational":[177],"medicine.":[179,192],"The":[180],"methodology":[181],"introduced":[182],"herein":[183],"has":[184],"important":[185],"implications":[186],"development":[189],"personalized":[191]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":14},{"year":2018,"cited_by_count":15},{"year":2017,"cited_by_count":11},{"year":2016,"cited_by_count":24},{"year":2015,"cited_by_count":17},{"year":2014,"cited_by_count":19},{"year":2013,"cited_by_count":29},{"year":2012,"cited_by_count":20}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
