An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction

Background: Pharmacokinetic evaluation is one of the key processes in drug discovery and development. However, current absorption, distribution, metabolism, and excretion prediction models still have limited accuracy. Aim: This study aims to construct an integrated transfer learning and multitask learning approach for developing quantitative structure–activity relationship models to predict four human pharmacokinetic parameters. Methods: A...