De novo drug design using reinforcement learning with graph-based deep generative models

Published in ChemRxiv, 2021

Recommended citation: Romeo Atance, Sara et al. (2021) "De novo drug design using reinforcement learning with graph-based deep generative models." ChemRxiv. link

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Here, we propose a graph-based deep generative model for de novo molecular design using reinforcement learning.

Recommended citation: Romeo Atance, Sara et al. (2021) “De novo drug design using reinforcement learning with graph-based deep generative models.” ChemRxiv.