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Developing Predictive Models by Sharing Predictions - An Investigation of a Federated Learning Approach for ADMET Predictions.

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Title: Developing Predictive Models by Sharing Predictions - An Investigation of a Federated Learning Approach for ADMET Predictions.
Authors: Guha R; Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02129, United States., Wang W; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Price E; Quantitative, Translational & ADME Sciences, AbbVie Inc., North Chicago, Illinois 60064, United States., Bhhatarai B; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Hassan M; Quantitative, Translational & ADME Sciences, AbbVie Inc., North Chicago, Illinois 60064, United States., DiFranzo A; Medical Analytics Center, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Keefer C; Translational Modeling and Simulation, Pfizer Worldwide Research and Development, Groton, Connecticut 06340, United States., Woody N; Translational Modeling and Simulation, Pfizer Worldwide Research and Development, Groton, Connecticut 06340, United States., Broccatelli F; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Winiwarter S; Drug Metabolism and Pharmacokinetics, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Mölndal 431 83, Sweden., He L; Daiichi Sankyo, Inc, 211 Mt. Airy Road, Basking Ridge, New Jersey 07920, United States., Green DVS; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K., Edwards CD; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K., Kato H; DMPK Research Laboratories, Mitsubishi Tanabe Pharma Corporation, Yokohama, Kanagawa 227-0033, Japan., Kosugi Y; DMPK & Modeling, Takeda Pharmaceutical Company Limited, 26-1 Muraoka-Higashi, 2-Chome, Fujisawa, Kanagawa 251-8555, Japan., Desai P; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
Source: Journal of medicinal chemistry [J Med Chem] 2026 Jun 11; Vol. 69 (11), pp. 12973-12981. Date of Electronic Publication: 2026 May 29.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Guha+R%22">Guha R</searchLink>; Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02129, United States.<br /><searchLink fieldCode="AU" term="%22Wang+W%22">Wang W</searchLink>; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.<br /><searchLink fieldCode="AU" term="%22Price+E%22">Price E</searchLink>; Quantitative, Translational & ADME Sciences, AbbVie Inc., North Chicago, Illinois 60064, United States.<br /><searchLink fieldCode="AU" term="%22Bhhatarai+B%22">Bhhatarai B</searchLink>; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Hassan+M%22">Hassan M</searchLink>; Quantitative, Translational & ADME Sciences, AbbVie Inc., North Chicago, Illinois 60064, United States.<br /><searchLink fieldCode="AU" term="%22DiFranzo+A%22">DiFranzo A</searchLink>; Medical Analytics Center, Merck & Co., Inc., Rahway, New Jersey 07065, United States.<br /><searchLink fieldCode="AU" term="%22Keefer+C%22">Keefer C</searchLink>; Translational Modeling and Simulation, Pfizer Worldwide Research and Development, Groton, Connecticut 06340, United States.<br /><searchLink fieldCode="AU" term="%22Woody+N%22">Woody N</searchLink>; Translational Modeling and Simulation, Pfizer Worldwide Research and Development, Groton, Connecticut 06340, United States.<br /><searchLink fieldCode="AU" term="%22Broccatelli+F%22">Broccatelli F</searchLink>; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.<br /><searchLink fieldCode="AU" term="%22Winiwarter+S%22">Winiwarter S</searchLink>; Drug Metabolism and Pharmacokinetics, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Mölndal 431 83, Sweden.<br /><searchLink fieldCode="AU" term="%22He+L%22">He L</searchLink>; Daiichi Sankyo, Inc, 211 Mt. Airy Road, Basking Ridge, New Jersey 07920, United States.<br /><searchLink fieldCode="AU" term="%22Green+DVS%22">Green DVS</searchLink>; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K.<br /><searchLink fieldCode="AU" term="%22Edwards+CD%22">Edwards CD</searchLink>; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K.<br /><searchLink fieldCode="AU" term="%22Kato+H%22">Kato H</searchLink>; DMPK Research Laboratories, Mitsubishi Tanabe Pharma Corporation, Yokohama, Kanagawa 227-0033, Japan.<br /><searchLink fieldCode="AU" term="%22Kosugi+Y%22">Kosugi Y</searchLink>; DMPK & Modeling, Takeda Pharmaceutical Company Limited, 26-1 Muraoka-Higashi, 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.<br /><searchLink fieldCode="AU" term="%22Desai+P%22">Desai P</searchLink>; Drug Metabolism & Pharmacokinetics (DMPK), Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.
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  Data: <searchLink fieldCode="JN" term="%229716531%22">Journal of medicinal chemistry</searchLink> [J Med Chem] 2026 Jun 11; Vol. 69 (11), pp. 12973-12981. <i>Date of Electronic Publication: </i>2026 May 29.
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        Value: 10.1021/acs.jmedchem.5c03681
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              Text: 2026 Jun 11
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