Author

Xiao-Dong Luo

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#machine learning Preprint Sep 2026

ProMeta: Few-shot PROTAC-targeted degradation prediction across E3 ligases

Proteolysis-targeting chimeras (PROTACs) have emerged as a transformative therapeutic strategy that selectively degrades historically''undruggable''targets via the ubiquitin-proteasome system. Despite growing efforts to develop computational predictors of PROTAC degradation activity, existing supervised approaches rema...

Yuansheng Liu, Yu-Fei Ye, Tao Tang et al. · 0 citations

#graph neural networks Open access Aug 2026

Discovery of a potent TDP1 inhibitor through machine learning-driven predictive modeling combined with structure-based virtual screening and experimental validation

An integrated computational framework combining machine learning (ML), deep learning (DL), and structure-based docking with experimental validation identifies AO65 as a promising lead for further TDP1-focused investigation.

Huang Zeng, Man-Yi Zhang, Bo Qiu et al. · RSC Advances · 0 citations