Cortex Discovery & Mcule Collaboration

Harnessing AI for Comprehensive ADME-Tox Predictions

Cortex Discovery has partnered with Mcule to enhance their In Stock library, featuring more than 5 million compounds from over 110 suppliers. Using our advanced deep learning models, we have predicted key ADME-Tox properties for every compound, streamlining decision-making in preclinical research.

Predictions included with Mcule’s Annotated In Stock Library

Aqueous Solubility
PAMPA Permeability
DMSO Solubility at 10mM (probability)
CYP19A1 Inhibition (probability of activity, IC50, efficacy)
hERG Inhibition (probability of activity, IC50, efficacy)
HEK293 Cytotoxicity (probability of activity, EC50, efficacy)

Links from Mcule's website

Beyond these properties, you can access Cortex Discovery’s full ADME-Tox portfolio consisting of predictions for over 20 critical properties, helping you evaluate the absorption, distribution, metabolism, excretion, and toxicity of small molecules.

This comprehensive data allows you to make well-informed decisions early in the drug discovery process, avoiding costly pitfalls.

Learn more about our full ADME-Tox offering and explore all the properties we predict on our services page also including our end-to-end service suite to support all stages of preclinical drug discovery from hit identification to lead optimization.