On March 24, 2022 Collaborations Pharmaceuticals, Inc. (CPI) reported that they have entered into an agreement with Stepan Company to license CPI’s MegaTox machine learning software for predicting toxicology properties to aid their decision making and regulatory processes (Press release, Collaborations Pharmaceuticals, MAR 24, 2022, View Source [SID1234610870]).

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"We are honored to announce our first public licensee of our MegaTox software which we have developed with support from an SBIR from NIEHS." MegaTox provides curated machine learning models for ADME/Tox properties to scientists in chemical, consumer product, agrochemical, and pharmaceutical companies to enable them to predict properties and activities for molecules. The best-in-class machine learning algorithms are based upon over 25 years of ADME/Tox modelling research including not only human toxicology but also biodegradation, eco-toxicity and other properties of interest which can be used for read-across predictions. These machine learning models may assist in the regulatory decision-making process for molecules of commercial interest.

MegaTox is a curated data package that builds on the Assay Central software platform for building bespoke machine learning models using datasets from dozens to hundreds of thousands of molecules.

"We look forward to working with Stepan Company to enable them to more efficiently make toxicity hazard decisions on small molecules that are of interest to them" said Sean Ekins, CEO, CPI.