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● CANDID-CNS™ is the new state-of-the-art AI model for BBB penetration: it achieves 87% AUPRC on bRo5 small molecules compared to 56% by Pfizer’s CNS MPO. ● CANDID-CNS™ distinguishes CNS penetrant stereoisomers at 68% compared to 50% by Pfizer’s CNS MPO. ● Published in the Journal of Chemical Information and Modeling, CANDID-CNS™ presents a breakthrough in AI Drug Discovery by unlocking the potential of bRo5 and stereochemistry to significantly expand the chemical space of small molecules that can be developed into CNS therapeutics.