Author

Sheng-Yuan Zhang

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Sep 2026

Integrating machine learning and deep learning with multiple molecular fingerprints for topoisomerase I inhibitor screening and lead identification.

Huang Zeng, Xue-Rou Zheng, Jia-Yao Liu et al. · Molecular diversity · 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