Drug Discovery

Combining Reinforcement Learning and Generative Models for de novo Drug Design
Scientific presentation at the BLISS Speaker Series.
2024-12-17 06:45 Technical University Berlin
Miguel Arbesú Andrés, Nima Hamidi Siboni
Combining Reinforcement Learning and Generative Models for de novo Drug Design
Offline RL for generative design of protein binders
We develop an offline Reinforcement learning approach to generate new small molecules conditioned on a given target structure.
Denis Tarasov, Ulrich A. Mbou Sob, Miguel Arbesú Andrés, Nima Siboni, Sebastien Boyer, Marcin Skwark, Andries Smit, Oliver Bent, Arnu Pretorius
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Offline RL for generative design of protein binders