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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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Principais autores: Lingxiang Jia, Zunlei Feng, Haotian Zhang, Jie Song, Zipeng Zhong, Shaolun Yao, Mingli Song
Format: Artigo
Sprog:Inglês
Udgivet: Wiley 2022-10-01
Serier:Advanced Intelligent Systems
Fag:
drug discovery
explainable machine learning
molecular properties
Online adgang:https://doi.org/10.1002/aisy.202200104
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