Predicting Total Drug Clearance and Volumes of Distribution Using the Machine Learning-Mediated Multimodal Method through the Imputation of Various Nonclinical Data
Hiroaki Iwata, Tatsuru Matsuo, Hideaki Mamada, Takahisa Motomura, Mayumi Matsushita, Takeshi Fujiwara, Kazuya Maeda, Koichi Handa
Abstract
: GMFE, 1.64; percentage within 2-fold error, 71.1%). These accuracies were comparable to the conventional animal scale-up models. Then, this method differs from animal scale-up methods because it does not require animal experiments, which continue to become more strictly regulated as time passes.
Topics & Concepts
Imputation (statistics)PharmacokineticsAnimal modelVolume of distributionMissing dataProfiling (computer programming)Computer scienceStatisticsMachine learningMathematicsPharmacologyMedicineInternal medicineOperating systemComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismMetabolomics and Mass Spectrometry Studies