Predicting Enzyme pH Optima from Structure Using Equivariant Graph Neural Networks
Rajarshi SinhaRoy, Christian Clauss, Ivan Ivanikov, Georg Kuenze
This paper introduces pHoptNN, a graph neural network predicting enzyme pH opt from structure, achieving lower error than sequence-based methods.
Journal of Chemical Information and Modeling · Aug 1, 2026Peer-reviewedBioinformatics