Rubén Laplaza
Institute of Catalysis and Petrochemistry(RU)École Polytechnique Fédérale de Lausanne(CH)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Protein Structure and Dynamics, Crystallography and molecular interactions
Most-Cited Works
- → NCIPLOT4: Fast, Robust, and Quantitative Analysis of Noncovalent Interactions(2020)297 cited
- → Machine intelligence for chemical reaction space(2022)126 cited
- → NCIPLOTand the analysis of noncovalent interactions using the reduced density gradient(2020)124 cited
- → Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts(2021)106 cited
- → Genetic Optimization of Homogeneous Catalysts(2022)55 cited
- → Proteasome versus Thioredoxin Reductase Competition as Possible Biological Targets in Antitumor Mixed Thiolate-Dithiocarbamate Gold(III) Complexes(2018)43 cited
- → Assessment of fine-tuned large language models for real-world chemistry and material science applications(2024)42 cited
- → Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes(2022)39 cited
- → OSCAR: an extensive repository of chemically and functionally diverse organocatalysts(2022)37 cited
- → cell2mol: encoding chemistry to interpret crystallographic data(2022)31 cited