ADMET Predictor® is the flagship machine learning platform for ADMET modeling with extended capabilities for data analysis, metabolism prediction, and AI-driven drug design.
Powerful ADMET Property Estimation, at your fingertips as a drug or agrochemical discovery scientist, your task is to create high-quality lead compounds. As a toxicologist in the pharmaceutical, chemicals, food, and cosmetic industries, your task is to ensure that your products are safe for humans and the environment.
Simulations Plus ADMET Predictor 9.5 is a flagship machine learning modeling platform.
Simulations Plus ADMET Predictor 9.5 Tested Picture
Key improvements include:
- Novel approaches to calculate uncertainty estimates on all regression models
- New machine learning models for important metabolism and transporter endpoints
- New machine learning models for AMES mutagenicity, a primary toxicity endpoint required during risk assessment
- New Structure Sensitivity Analysis visualization tool to easily map atom-level contributions to model predictions
- Improved rat-specific models to more accurately inform HTPK Simulation predictions
- Improved Pipeline Pilot and KNIME components to extend deployment options and enterprise support for ADMET Predictor
- Updates to output displays in MedChem Designer™
