CANDID-CNS: AI Unlocks Stereochemistry and Beyond Rule of 5 to Predict CNS Penetration of Small Molecules

Jesse W. Collins, Mostafa Abedi, Daniel Ramirez, Laurence Philippe-Venec, Brandon Moore, Jennifer O. Asher. CANDID-CNS: AI Unlocks Stereochemistry and Beyond Rule of 5 to Predict CNS Penetration of Small Molecules. Journal of Chemical Information and Computer Sciences, 65(23):12918-12928, 2025. [doi]

Abstract

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