Target‐Engagement Prediction From Molecular Structure, In Vitro and Animal Data: A Tutorial for Early Assessment of Clinical Drug Exposure and Therapeutic/Adverse Potential Using the ANDROMEDA and PLATO Software on the InSilicoTrials Platform
ABSTRACT The target‐engagement predictor, implemented within the InSilicoTrials cloud‐based, AI‐powered platform for model‐informed drug discovery and development, enables early exploration of time‐dependent pharmacological responses. Predictions can be generated using inputs ranging from molecular structure to in vitr...