CNSMolGen: A Bidirectional Recurrent Neural Network-Based Generative Model for De Novo Central Nervous System Drug Design

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 applic...

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Veröffentlicht in:	Journal of chemical information and modeling 2024-05, Vol.64 (10), p.4059-4070
Hauptverfasser:	Gou, Rongpei, Yang, Jingyi, Guo, Menghan, Chen, Yingjun, Xue, Weiwei
Format:	Artikel
Sprache:	eng
Schlagworte:	Central nervous system Central Nervous System Agents - chemistry Central Nervous System Agents - pharmacology Chemical synthesis Datasets Deep learning Design optimization Drug Design Drugs Humans Machine Learning and Deep Learning Molecular Docking Simulation Molecular structure Nervous system Neural networks Neural Networks, Computer Recurrent neural networks Serotonin Serotonin Plasma Membrane Transport Proteins - chemistry Serotonin Plasma Membrane Transport Proteins - metabolism
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