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Raquel Lopez-Rios de Castro

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2020 – today

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2023
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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): 373-394 (2023)
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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): 3761-3771 (2023)
2022
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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 abs/2210.12458 (2022)

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