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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Principais autores:	Mingyang Wang, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Honglin Li, Chang-Yu Hsieh, Tingjun Hou
Formato:	Artigo
Idioma:	Inglês
Publicado:	BMC 2022-12-01
Series:	Journal of Cheminformatics
Assuntos:	Deep learning De novo drug design Molecular generation Adversarial autoencoders Transfer learning Artificial intelligence
Acceso en liña:	https://doi.org/10.1186/s13321-022-00665-w
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