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Dual-strategy approach for fungicide discovery: Machine learning-based activity prediction and fragment co-occurrence network construction

Binyan Jin Jialin Cui Qi He Huan Xu Xinpeng Sun Ziyao Chai Li Zhang

Advanced Agrochem2025，Vol.4Issue(4)：P.373-381,9.

Advanced Agrochem2025，Vol.4Issue(4)：P.373-381,9.DOI:10.1016/j.aac.2025.10.005

Dual-strategy approach for fungicide discovery: Machine learning-based activity prediction and fragment co-occurrence network construction

Binyan Jin ¹Jialin Cui ¹Qi He ¹Huan Xu ¹Xinpeng Sun ¹Ziyao Chai ¹Li Zhang¹

作者信息

1. Innovation Center of Pesticide Research,Department of Applied Chemistry,College of Science,China Agricultural University,Beijing,100193,China
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摘要

关键词

Machine learning/Activity prediction/Fragment co-occurrence/Interpretability/Online website

分类

化学化工

引用本文复制引用

Binyan Jin,Jialin Cui,Qi He,Huan Xu,Xinpeng Sun,Ziyao Chai,Li Zhang..Dual-strategy approach for fungicide discovery: Machine learning-based activity prediction and fragment co-occurrence network construction[J].Advanced Agrochem,2025,4(4):P.373-381,9.

基金项目

the National Key R&D Program of China(No.2022YFD1700200). （No.2022YFD1700200）

Advanced Agrochem

ISSN：2773-2371

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