Small molecules

Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets
We introduce SAFER, an updated molecular encoding scheme that improves the correctness of the representations, and use it to build a latent-variable transformer model for generative tasks.
Ulrich A. Mbou Sob, Qiulin Li, Miguel Arbesú Andrés, Oliver Bent, Andries P. Smit, Arnu Pretorius
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Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets