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ReMODE: a deep learning-based web server for target-specific drug design

Abstract Deep learning (DL) and machine learning contribute significantly to basic biology research and drug discovery in the past few decades. Recent advances in DL-based generative models have led to superior developments in de novo drug design. However, data availability, deep data processing, an...

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Guardat en:
Autors principals: Mingyang Wang, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Honglin Li, Chang-Yu Hsieh, Tingjun Hou
Format: Artigo
Idioma:Inglês
Publicat: BMC 2022-12-01
Col·lecció:Journal of Cheminformatics
Matèries:
Deep learning
De novo drug design
Molecular generation
Adversarial autoencoders
Transfer learning
Artificial intelligence
Accés en línia:https://doi.org/10.1186/s13321-022-00665-w
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