We use machine learning to predict toxicity and ADME (absorption, distribution, metabolism, and excretion). After a lead has been designed, our model could offer in-silico assessment about ADME and toxicity base on auto feature extration AI.
Our ADMET Prediction Service contains about 30 endpoints, such as ADME (e.g. Caco-2 permeability, Cyp family inhibition), toxicity(e.g. hERG inhibition, mutagenicity), pharmacokinetics(e.g. volume of distribution, clearance) etc., helping you find druggable compounds instantly.
With huge compound database, our Lead Optimization Service could optimize compounds automatically and suggest the possible compounds, just setting your main structure you want and conditions you need, for example, “no hERG toxicity.” If you are not sure what 's the next, we also provide consulting services to help you.
Our Prediction Service is highly-performed in general cases. However, if you have some in-vivo/in-vitro data of similar structures, we could combine your data with ours to generate even more highly-performed prediction service for sets of the structure. Customized services will be charged based on the scope of your projects.