CNSMolGen: A Bidirectional Recurrent Neural Network-Based Generative Model for De Novo Central Nervous System Drug Design
Rongpei Gou,
Jingyi Yang,
Menghan Guo
et al.
Abstract:Central nervous system (CNS) drugs have had a significant
impact
on treating a wide range of neurodegenerative and psychiatric disorders.
In recent years, deep learning-based generative models have shown
great potential for accelerating drug discovery and improving efficacy.
However, specific applications of these techniques in CNS drug discovery
have not been widely reported. In this study, we developed the CNSMolGen
model, which uses a framework of bidirectional recurrent neural networks
(Bi-RNNs) for de nov… Show more
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