ADMET Predictor 8.1

ADMET Predictor is an in silico platform for estimating absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small molecules directly from their chemical structures. It combines curated datasets with machine-learning/QSAR models to predict key physicochemical and pharmacokinetic endpoints—such as pKa, logP/logD, solubility, permeability, clearance, volume of distribution, plasma protein binding, and blood–brain barrier penetration—while flagging safety liabilities including CYP interactions, hERG inhibition, mutagenicity, and hepatotoxicity. The software can also suggest likely sites of metabolism and potential metabolites, helping researchers anticipate biotransformation pathways.

Designed for medicinal and computational chemists, DMPK scientists, and toxicologists, ADMET Predictor supports standard chemical file formats and batch processing, and provides confidence metrics and structure–activity insights to aid decision-making. It enables rapid triage of libraries, prioritization of leads, and “what-if” optimization to improve developability earlier in discovery, reducing experimental workload and late-stage attrition.

ADMET Predictor is developed by Simulations Plus Inc.. The most popular versions of this product among our users are: 1.0, 3.0, 7.2 and 8.1. The name of the program executable file is ADMET_Predictor.exe.