Miguel Garcia-Ortegon

According to our database, Miguel Garcia-Ortegon authored at least 6 papers between 2019 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization.

Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, Andreas Bender, Sergio Bacallado

J. Cheminformatics, December, 2024

Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank.

Srijit Seal, Ola Spjuth, Layla Hosseini-Gerami, Miguel García-Ortegón, Shantanu Singh, Andreas Bender, Anne E. Carpenter

J. Chem. Inf. Model., February, 2024

2022

Achieving robustness to aleatoric uncertainty with heteroscedastic Bayesian optimisation.

Ryan-Rhys Griffiths, Alexander A. Aldrick, Miguel Garcia-Ortegon, Vidhi Lalchand, Alpha A. Lee

Mach. Learn. Sci. Technol., 2022

DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.

Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado

J. Chem. Inf. Model., 2022

Conditional Neural Processes for Molecules.

Miguel Garcia-Ortegon, Andreas Bender, Sergio Bacallado

CoRR, 2022

2019

Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation.

Ryan-Rhys Griffiths, Miguel Garcia-Ortegon, Alexander A. Aldrick, Alpha A. Lee

CoRR, 2019