Multispecies Machine Learning Predictions of In Vitro Intrinsic Clearance with Uncertainty Quantification Analyses.

Rodríguez-Pérez, Raquel; Trunzer, Markus; Schneider, Nadine; Faller, Bernard; Gerebtzoff, Grégori

Rodríguez-Pérez, Raquel; Trunzer, Markus; Schneider, Nadine; Faller, Bernard; Gerebtzoff, Grégori.

Affiliation

Rodríguez-Pérez R; Novartis Institutes for Biomedical Research, Novartis Campus, BaselCH-4002, Switzerland.
Trunzer M; Novartis Institutes for Biomedical Research, Novartis Campus, BaselCH-4002, Switzerland.
Schneider N; Novartis Institutes for Biomedical Research, Novartis Campus, BaselCH-4002, Switzerland.
Faller B; Novartis Institutes for Biomedical Research, Novartis Campus, BaselCH-4002, Switzerland.
Gerebtzoff G; Novartis Institutes for Biomedical Research, Novartis Campus, BaselCH-4002, Switzerland.

Mol Pharm ; 20(1): 383-394, 2023 01 02.

Article in En | MEDLINE | ID: mdl-36437712

Subject(s)

Hepatocytes; Microsomes, Liver; Metabolic Clearance Rate; Uncertainty; Hepatocytes/metabolism; Microsomes, Liver/metabolism; Kinetics

Key words

deep learning; experimental variability; graph neural networks; intrinsic clearance; machine learning; metabolic stability; multitask learning; uncertainty quantification

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Microsomes, Liver / Hepatocytes Type of study: Clinical_trials / Prognostic_studies / Risk_factors_studies Language: En Journal: Mol Pharm Journal subject: BIOLOGIA MOLECULAR / FARMACIA / FARMACOLOGIA Year: 2023 Document type: Article Affiliation country: Switzerland

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