Explainable Fragment‐Based Molecular Property Attribution

“AI & Drug Discovery” mode has significantly promoted drug development and achieved excellent performance, especially with the rapid development of deep learning, making remarkable contributions to protecting human physiological health. However, due to the “black‐box” characteristic of the deep lear...

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Detalles Bibliográficos

Principais autores:	Lingxiang Jia, Zunlei Feng, Haotian Zhang, Jie Song, Zipeng Zhong, Shaolun Yao, Mingli Song
Formato:	Artigo
Idioma:	Inglês
Publicado:	Wiley 2022-10-01
Series:	Advanced Intelligent Systems
Assuntos:	drug discovery explainable machine learning molecular properties
Acceso en liña:	https://doi.org/10.1002/aisy.202200104
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