ADMET Predictor® Tutorial Series: HTPK Part 3

Authors: Jamois E
Software: ADMET Predictor®
Division: Cheminformatics

This comprehensive tutorial for ADMET Predictor focuses on the output and optimization capabilities of the HTPK module. It provides a step-by-step guide to creating CP time curves and overlaying different simulation scenarios to test the impact of changing solubility and permeability on drug profiles. A key highlight is the Dose Estimation tool, which back-calculates the required dose to reach a user-specified steady-state concentration (e.g., matching an IC50 value). Finally, the video introduces advanced users to the AAT.inp and formulation files, where physiological parameters like particle size and transit times can be manually adjusted for both human and rat models.