Division/Committee: [MEDI: Division of Medicinal Chemistry]

This session aims to spotlight silico methods to optimize ADME & human dose prediction (HDP). Over the last two decades, Lipinski's rules and efficiency metrics (e.g. Lipophillic Ligand Efficiency, LLE and Metabolic Ligand Efficiency, MetLipE) revolutionized the way medicinal chemists approach ADME optimization. The next generation of predictive methods seeks to further advance medicinal chemistry by using machine learning models to predict multiple paramaters such as oral availability, clearance, distribution, and HDP. The goal of this session is to inform the MEDI community about these emerging tools, particularly those that promise a practical solution to the medicinal chemists needs

Justin Cisar

Appearances