ADMET Predictor® 9.5 Webinar

ADMET Property Estimation & Model Building As we near the release of ADMET Predictor® 9.5, Simulations Plus will host a webinar to introduce the new capabilities found in this version. Significant enhancements have been made throughout both ADMET Predictor and MedChem Designer™. The following topics will be covered: New Structure Sensitivity Analysis (SSA) - Interactive visualization of the atomic contributions to a predicted property. Our regression models (logP, solubility, etc.) are now accompanied by uncertainty estimates for each compound. New models to predict Ames mutagenicity, AOX and BCRP substrate/non-substrate, and OCT2 and BSEP inhibition. Metabolite prediction now includes aldehyde oxidase (AOX), esterase and UGT products. The Pipeline Pilot and KNIME workflows have been significantly improved and modernized. Improved models for human blood-to-plasma ratio, blood-brain barrier penetration and rat liver microsome intrinsic clearance. New lists of structure alerts for reactive metabolites and other toxicities. You can use the new SSA window to visualize how each alert hits your compound. New feature to facilitate sharing ADMET Modeler™ models across your organization. Many significant visual and functional improvements to MedChem Designer™, including pKa microstate analysis, visualization of atomic properties, prediction of fraction absorbed and bioavailable, display of logD-vs-pH and solubility-vs-pH curves and more. For more info visit us online at https://www.simulations-plus.com/