Tautomer-Predictor AI Tool Identifies Stable Molecules for Drug Discovery

NYU researchers developed an AI tool called Tautomer-Predictor that uses deep learning on high-resolution crystallographic data to accurately predict stable tautomers of drug-like molecules, overcoming key challenges in molecular design and drug discovery. The open-source tool enables rapid analysis of large molecular libraries, improving molecular modelling and structure-based drug design.

This Wire brief sits within Fusion42's coverage of Drug Discovery, and 3 sources have reported it between 23 Sep 2026 and 24 Sep 2026.