José Miguel Hernández-Lobato

5PUBLICATIONS
7CO-AUTHORS
Computational physiologyAdversarial machine learningTransition metal chemistryDeep learningBiomolecular modelling and design
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Publications (5)

|May 05, 2025
Batched Bayesian Optimization by Maximizing the Probability of Including the Optimum.

Jenna Fromer, Runzhong Wang, Mrunali Manjrekar

|Apr 15, 2025
A meta-learning approach for selectivity prediction in asymmetric catalysis.

Sukriti Singh, José Miguel Hernández-Lobato

|Aug 16, 2024
Data-Driven Insights into the Transition-Metal-Catalyzed Asymmetric Hydrogenation of Olefins.

Sukriti Singh, José Miguel Hernández-Lobato

|Jun 14, 2024
Deep Kernel learning for reaction outcome prediction and optimization.

Sukriti Singh, José Miguel Hernández-Lobato

|Jul 18, 2022
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.

Miguel García-Ortegón, Gregor N C Simm, Austin J Tripp

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Frequent Collaborators

3 joint publications

Sukriti Singh

2 joint publications

Austin Tripp

1 joint publications

Miguel García-Ortegón

1 joint publications

Gregor N C Simm