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Model interpretability

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2 results in Keywords: Model interpretability

Biological and Medicinal Chemistry

Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis

Joseph DeCorte, Benjamin Brown, Jens Meiler

Version 1 posted 12 June 2024

276

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Organic Chemistry

Improve retrosynthesis planning with a molecular editing language

Jiacheng Xiong, Wei Zhang, Zunyun Fu, Jiatao Huang, Xiangtai Kong, Yitian Wang, Zhaoping Xiong, Mingyue Zheng

Version 1 posted 26 December 2023

784

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