Details
Title
Laplaza Solanas, Rubén
Sciper ID
331758
Affiliated labs
LCMD
Publications
Assessing the persistence of chalcogen bonds in solution with neural network potentials
Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes
Genetic Algorithms for the Discovery of Homogeneous Catalysts
Genetic Optimization of Homogeneous Catalysts
Harvesting the fragment-based nature of bifunctional organocatalysts to enhance their activity
Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts
Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity
Reply to Comment on 'Physics-based representations for machine learning properties of chemical reactions'
The (not so) simple prediction of enantioselectivity - a pipeline for high-fidelity computations
Toward in silico Catalyst Optimization
See complete list of publications (16)
Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes
Genetic Algorithms for the Discovery of Homogeneous Catalysts
Genetic Optimization of Homogeneous Catalysts
Harvesting the fragment-based nature of bifunctional organocatalysts to enhance their activity
Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts
Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity
Reply to Comment on 'Physics-based representations for machine learning properties of chemical reactions'
The (not so) simple prediction of enantioselectivity - a pipeline for high-fidelity computations
Toward in silico Catalyst Optimization
See complete list of publications (16)
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