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Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Obrezanova, Olga; Martinsson, Anton; Whitehead, Tom; Mahmoud, Samar; Bender, Andreas; Miljkovic, Filip; Grabowski, Piotr; Irwin, Ben; Oprisiu, Ioana; Conduit, Gareth; Segall, Matthew; Smith, Graham F; Williamson, Beth; Winiwarter, Susanne; Greene, Nigel.
Afiliação
  • Obrezanova O; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Cambridge CB4 0FZ, U.K.
  • Martinsson A; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Gothenburg SE-43183, Sweden.
  • Whitehead T; Intellegens Ltd., Eagle Labs, Cambridge CB4 3AZ, U.K.
  • Mahmoud S; Optibrium Ltd., Cambridge Innovation Park, Cambridge CB25 9PB, U.K.
  • Bender A; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Cambridge CB4 0FZ, U.K.
  • Miljkovic F; Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Cambridge CB2 1EW, U.K.
  • Grabowski P; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Gothenburg SE-43183, Sweden.
  • Irwin B; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Cambridge CB4 0FZ, U.K.
  • Oprisiu I; Optibrium Ltd., Cambridge Innovation Park, Cambridge CB25 9PB, U.K.
  • Conduit G; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Gothenburg SE-43183, Sweden.
  • Segall M; Intellegens Ltd., Eagle Labs, Cambridge CB4 3AZ, U.K.
  • Smith GF; Optibrium Ltd., Cambridge Innovation Park, Cambridge CB25 9PB, U.K.
  • Williamson B; Imaging and Data Analytics, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca, Cambridge CB4 0FZ, U.K.
  • Winiwarter S; Drug Metabolism and Pharmacokinetics, Research and Early Development, Oncology R&D, AstraZeneca, Cambridge CB10 1XL, U.K.
  • Greene N; Drug Metabolism and Pharmacokinetics, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), Biopharmaceutical R&D, AstraZeneca, Gothenburg SE-43183, Sweden.
Mol Pharm ; 19(5): 1488-1504, 2022 05 02.
Article em En | MEDLINE | ID: mdl-35412314
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Aprendizado de Máquina / Modelos Biológicos Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Animals Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Aprendizado de Máquina / Modelos Biológicos Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Animals Idioma: En Ano de publicação: 2022 Tipo de documento: Article