ADMET Predictor 9™ Release Webinar: Streamline Your Drug Design with ADMET Predictor 9!

Authors: Lawless M

The following topics will be covered:

• Plasma Cmax, Tmax, and AUC columns are now included with %Fa and/or %Fb simulations
• Plasma concentration vs. time profiles at different doses can be displayed
• Sensitivity analysis plots of %Fa or %Fb vs. solubility or permeability can be quickly generated
• New machine-learning models to predict if major clearance mechanism is metabolism, renal, or hepatic uptake
• Implemented the published Extended Clearance Classification System (ECCS) model
• Intuitive graphical display of Biopharmaceutical Classification System (BCS) and Developability Classification System (DCS)
• The effect of pH on logD and solubility can be analyzed with new plots of these properties vs pH
• Human intrinsic clearance and plasma protein binding models have been rebuilt using additional data
• Most of the classification models have been rebuilt to improve their estimations of prediction confidence
• New functionality for easily generating and visualizing fingerprints
• Extended-Connectivity Fingerprints (ECFPs) method is now available
• The Pearson correlation coefficient between a fingerprint and a compound attribute, e.g., IC50, can now be computed
• Multi-class (greater than 2) classification models can now be built using ANNEs methodology
• New, automated DELTA Model™ approach extends the chemical coverage space of models using your data

Michael Lawless, Ph.D.
Senior Principal Scientist
Simulations Plus, Inc.