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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 Sheng-Yuan Zhang Hua Nie Nang Wang Ling-Feng Wu Chun-Fang Liu Ming Zhai Hao Yang Jiunlong Yang Bo Qiu
Sep 2026 · Molecular diversity · 0 citations · 34 references
Medicine

TL;DR

This study provides a practical computational framework for TOP1 inhibitor screening and identifies promising candidate compounds.

DOI PubMed Semantic Scholar
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