Raquel Lopez-Rios de Castro

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 3

Top Topics

Optimization Problems

Mass Spectrometry

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Simona Kolarova, Raquel Lopez-Rios de Castro
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES. J. Comput. Aided Mol. Des. 37 (8) (2023)
Alejandro Santana-Bonilla, Raquel Lopez-Rios de Castro, Peike Sun, Robert M. Ziolek, Christian D. Lorenz
Modular Software for Generating and Modeling Diverse Polymer Databases. J. Chem. Inf. Model. 63 (12) (2023)
Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Raquel Lopez-Rios de Castro
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES. CoRR (2022)