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Deep Kernel Learning for Reaction Outcome Prediction and Optimization

Chemistry

Deep Kernel Learning for Reaction Outcome Prediction and Optimization

S. Singh and J. M. Hernández-lobato

Discover an innovative deep kernel learning model developed by Sukriti Singh and José Miguel Hernández-Lobato that predicts chemical reaction outcomes with remarkable precision. This cutting-edge approach combines the power of neural networks and Gaussian processes, offering not just accurate predictions but also valuable uncertainty estimates, making it an exciting advancement in optimizing reaction conditions.

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