Building off of the successful launch of the redesigned ADMET Predictor 8.0, many substantial enhancements have been made throughout version 8.1 to improve performance. The most significant is that ADMET Predictor 8.1 is now available as both 32- and 64-bit executables. Additionally, interface functions and model-building processes have been optimized to more effectively handle large data sets. Below are a few of the items that will be discussed in the webinar:
• ADMET property prediction takes about 20% less time with the 64-bit executable
• Now available in the MedChem Studio™ Module – Combinatorial substituent and scaffold replacement
• All ten Ames mutagenicity models and the CYP 3A4 substrate model have been rebuilt to include confidence estimates. New models have broader applicability domains.
• Custom models built with version 8 can be automatically transferred to version 8.1
• Model-building activities, including data loading and training/test set selection, have been optimized for speed in the ADMET Modeler™ Module
• ADMET Risk™ rule violations can be displayed in a histogram
• … and more!
Dr. Michael Lawless
Business Development Manager, Cheminformatics Solutions
Simulations Plus, Inc.