MegaPredict is a collection of thousands of machine learning models generated from ChEMBL. These represent data from phenotypic screens, individual targets, ADME/Tox datasets etc. These models can be used for individual projects in a select area e.g. kinases, viruses, bacteria. These models can be used for ranking repurposing opportunities or off-targets.

This software can be used to prioritize molecules or ingredients for pharmaceutical, consumer product, animal health and agrochemical companies. These models are available for licensing and fee for service projects. Subsets of these models can be customized as desired as well as updated with their own data for private use. We can in most cases make the curated data underlying these models available for your internal use.