{"id":"https://openalex.org/W2013258146","doi":"https://doi.org/10.1016/s0378-4274(02)00374-0","title":"Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection","display_name":"Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection","publication_year":2003,"publication_date":"2003-01-30","ids":{"openalex":"https://openalex.org/W2013258146","doi":"https://doi.org/10.1016/s0378-4274(02)00374-0","mag":"2013258146","pmid":"https://pubmed.ncbi.nlm.nih.gov/12559691"},"language":"en","primary_location":{"id":"doi:10.1016/s0378-4274(02)00374-0","doi":"https://doi.org/10.1016/s0378-4274(02)00374-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0378-4274(02)00374-0","pdf_url":null,"source":{"id":"https://openalex.org/S205878144","display_name":"Toxicology Letters","issn_l":"0378-4274","issn":["0378-4274","1879-3169"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Toxicology Letters","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5042055893","display_name":"Frank\u2010Peter Theil","orcid":"https://orcid.org/0000-0003-4042-6949","observed_orcids":["https://orcid.org/0000-0003-4042-6949"]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Frank-Peter Theil","raw_affiliation_strings":["Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110141452","display_name":"Theodor W. Guentert","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Theodor W Guentert","raw_affiliation_strings":["Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070588264","display_name":"Sami Haddad","orcid":"https://orcid.org/0000-0001-8906-9693","observed_orcids":["https://orcid.org/0000-0001-8906-9693"]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Sami Haddad","raw_affiliation_strings":["Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051609996","display_name":"Patrick Poulin","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Patrick Poulin","raw_affiliation_strings":["Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Non-clinical Drug Safety, PRNS Bau: 69/101, F. Hoffmann-La Roche Ltd., Pharma Research, CH-4070 Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5051609996"],"corresponding_institution_ids":["https://openalex.org/I118019719"],"apc_list":{"value":4270,"currency":"USD","value_usd":4270},"apc_paid":null,"fwci":6.5092,"has_fulltext":false,"cited_by_count":201,"citation_normalized_percentile":{"value":0.98006645,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"138","issue":"1-2","first_page":"29","last_page":"49"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6987000107765198,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6987000107765198,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"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/T12547","display_name":"Pharmaceutical studies and practices","score":0.1120000034570694,"subfield":{"id":"https://openalex.org/subfields/2735","display_name":"Pediatrics, Perinatology and Child Health"},"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.09229999780654907,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/physiologically-based-pharmacokinetic-model","display_name":"physiologically based pharmacokinetic modeling","score":0.9570000171661377},{"id":"https://openalex.org/keywords/drug-candidate-selection","display_name":"drug candidate selection","score":0.7450000047683716},{"id":"https://openalex.org/keywords/adme-prediction","display_name":"ADME prediction","score":0.8870000243186951},{"id":"https://openalex.org/keywords/in-silico-prediction-tools","display_name":"in silico prediction tools","score":0.7289999723434448},{"id":"https://openalex.org/keywords/volume-of-distribution","display_name":"volume of distribution","score":0.8240000009536743},{"id":"https://openalex.org/keywords/pk-pd-relationship","display_name":"PK/PD relationship","score":0.9039999842643738},{"id":"https://openalex.org/keywords/cross-species-extrapolation","display_name":"interspecies extrapolation","score":0.6980000138282776},{"id":"https://openalex.org/keywords/route-of-administration","display_name":"route of administration","score":0.6510000228881836},{"id":"https://openalex.org/keywords/early-drug-discovery","display_name":"early drug discovery","score":0.6110000014305115}],"concepts":[{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.9477766752243042},{"id":"https://openalex.org/C185867374","wikidata":"https://www.wikidata.org/wiki/Q2562769","display_name":"Physiologically based pharmacokinetic modelling","level":3,"score":0.9412806034088135},{"id":"https://openalex.org/C112705442","wikidata":"https://www.wikidata.org/wiki/Q323936","display_name":"Pharmacokinetics","level":2,"score":0.736254870891571},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.707366943359375},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6282274723052979},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.615623950958252},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5441629886627197},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.5047329664230347},{"id":"https://openalex.org/C207001950","wikidata":"https://www.wikidata.org/wiki/Q141124","display_name":"In vivo","level":2,"score":0.4556044936180115},{"id":"https://openalex.org/C110121322","wikidata":"https://www.wikidata.org/wiki/Q865811","display_name":"Distribution (mathematics)","level":2,"score":0.4194064140319824},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.41426974534988403},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3628475069999695},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.23618543148040771},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18063947558403015},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.07137548923492432},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.06724324822425842},{"id":"https://openalex.org/C150903083","wikidata":"https://www.wikidata.org/wiki/Q7108","display_name":"Biotechnology","level":1,"score":0.06559616327285767},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004341","descriptor_name":"Drug Evaluation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013045","descriptor_name":"Species Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015507","descriptor_name":"Drugs, Investigational","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D015507","descriptor_name":"Drugs, Investigational","qualifier_ui":"Q000493","qualifier_name":"pharmacokinetics","is_major_topic":true},{"descriptor_ui":"D015507","descriptor_name":"Drugs, Investigational","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/s0378-4274(02)00374-0","doi":"https://doi.org/10.1016/s0378-4274(02)00374-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0378-4274(02)00374-0","pdf_url":null,"source":{"id":"https://openalex.org/S205878144","display_name":"Toxicology Letters","issn_l":"0378-4274","issn":["0378-4274","1879-3169"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Toxicology Letters","raw_type":"journal-article"},{"id":"pmid:12559691","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12559691","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,"listed_in":[],"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":"Toxicology letters","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.9391000270843506,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":71,"referenced_works":["https://openalex.org/W16537224","https://openalex.org/W68169567","https://openalex.org/W105065477","https://openalex.org/W118005493","https://openalex.org/W166100231","https://openalex.org/W1497867894","https://openalex.org/W1799482251","https://openalex.org/W1829225133","https://openalex.org/W1860688311","https://openalex.org/W1871818796","https://openalex.org/W1889531403","https://openalex.org/W1964431628","https://openalex.org/W1970559437","https://openalex.org/W1974875661","https://openalex.org/W1978388141","https://openalex.org/W1979813244","https://openalex.org/W1980586229","https://openalex.org/W1982162055","https://openalex.org/W1988428244","https://openalex.org/W1994273373","https://openalex.org/W2008286529","https://openalex.org/W2009206389","https://openalex.org/W2009858196","https://openalex.org/W2011656904","https://openalex.org/W2019306159","https://openalex.org/W2021694981","https://openalex.org/W2026392882","https://openalex.org/W2029590089","https://openalex.org/W2034625036","https://openalex.org/W2039250788","https://openalex.org/W2046726491","https://openalex.org/W2052378909","https://openalex.org/W2053978276","https://openalex.org/W2062025279","https://openalex.org/W2062048144","https://openalex.org/W2064799851","https://openalex.org/W2065719111","https://openalex.org/W2068422015","https://openalex.org/W2077984371","https://openalex.org/W2079270920","https://openalex.org/W2080338089","https://openalex.org/W2083968585","https://openalex.org/W2093008321","https://openalex.org/W2094960170","https://openalex.org/W2102688834","https://openalex.org/W2114871267","https://openalex.org/W2124004413","https://openalex.org/W2124425953","https://openalex.org/W2131657408","https://openalex.org/W2132759637","https://openalex.org/W2133270655","https://openalex.org/W2133539122","https://openalex.org/W2137885077","https://openalex.org/W2140474672","https://openalex.org/W2144465276","https://openalex.org/W2149429360","https://openalex.org/W2149599756","https://openalex.org/W2167169197","https://openalex.org/W2168235332","https://openalex.org/W2330587280","https://openalex.org/W2335840854","https://openalex.org/W2340947931","https://openalex.org/W2356379002","https://openalex.org/W2414945378","https://openalex.org/W2416488019","https://openalex.org/W2621113196","https://openalex.org/W4249672554","https://openalex.org/W4406065843","https://openalex.org/W6638186631","https://openalex.org/W6678555658","https://openalex.org/W6682226085"],"related_works":["https://openalex.org/W2014065104","https://openalex.org/W1969578015","https://openalex.org/W2916922660","https://openalex.org/W4233263263","https://openalex.org/W1966821331","https://openalex.org/W4389607752","https://openalex.org/W4206253518","https://openalex.org/W2019306159","https://openalex.org/W2045983559","https://openalex.org/W2017218221"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":7},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":14},{"year":2012,"cited_by_count":10}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}