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ADMET Predictor - Machine Learning Platform for ADMET Modeling

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ADMET Predictor is an advanced machine learning platform developed by Simulations Plus, dedicated to the prediction of ADMET (Absorption, Distribution, Metabolism, Elimination, and Toxicity) properties. With the ability to predict over 175 properties, it integrates seamlessly with computational chemistry and medicinal chemistry applications, offering precise predictions on solubility, logP, pKa, and sites of CYP metabolism. Enhanced through high-throughput GastroPlus® simulations, it supports the decision-making process in drug discovery and risk assessment. The platform's REST API allows for comprehensive integration into third-party informatics platforms, enhancing data analysis and compound design efforts. Its proprietary modules support the creation of QSAR/QSPR models and facilitate advanced data mining techniques. By utilizing ADMET Predictor, one can streamline the assessment of pharmacokinetic risks such as high plasma protein binding and volume of distribution, contributing to safer and more effective drug development processes.
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Flagship machine learning platform for ADMET modeling
ADMET Predictor® leads with unique capabilities for discovery PK assessment and deployment to medicinal chemistry and DMPK teams!

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.

ADMET Predictor is a machine learning software tool that quickly and accurately predicts over 175 properties, including solubility, logP, pKa, sites of CYP metabolism, Ames mutagenicity, and major PK endpoints using integrated high-throughput GastroPlus® simulations. The latest version integrates market-leading ADMET modeling with compound design, data analysis, SAR, and cheminformatics capabilities to support scientists across computational chemistry, medicinal chemistry, DMPK, and other disciplines.