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ORCIDMiguel Garcia-Ortegon
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Journal Articles
- 2024
[j4]Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, Andreas Bender, Sergio Bacallado:
Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization. J. Cheminformatics 16(1): 115 (2024)- [j3]Srijit Seal
, Ola Spjuth, Layla Hosseini-Gerami, Miguel García-Ortegón, Shantanu Singh, Andreas Bender, Anne E. Carpenter:
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank. J. Chem. Inf. Model. 64(4): 1172-1186 (2024) - 2022
- [j2]Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado:
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design. J. Chem. Inf. Model. 62(15): 3486-3502 (2022) - [j1]Ryan-Rhys Griffiths, Alexander A. Aldrick, Miguel Garcia-Ortegon, Vidhi Lalchand, Alpha A. Lee:
Achieving robustness to aleatoric uncertainty with heteroscedastic Bayesian optimisation. Mach. Learn. Sci. Technol. 3(1): 15004 (2022)
Informal and Other Publications
- 2022
- [i3]Miguel Garcia-Ortegon, Andreas Bender, Sergio Bacallado:
Conditional Neural Processes for Molecules. CoRR abs/2210.09211 (2022) - 2021
- [i2]Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado:
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design. CoRR abs/2110.15486 (2021) - 2019
- [i1]Ryan-Rhys Griffiths, Miguel Garcia-Ortegon, Alexander A. Aldrick, Alpha A. Lee:
Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation. CoRR abs/1910.07779 (2019)
Coauthor Index
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