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Machine learning-assisted structure annotation of natural products based on MS and NMR data 期刊论文
NATURAL PRODUCT REPORTS, 2023, 卷号: 40, 期号: 11, 页码: 1735-1753
作者:  Hu,Guilin;  Qiu,Minghua
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H-1-NMR CHEMICAL-SHIFTS  STRUCTURE-BASED PREDICTIONS  TANDEM MASS-SPECTRA  STRUCTURE ELUCIDATION  NEURAL-NETWORK  METABOLITE IDENTIFICATION  COMP  
Self-Organizing Maps for the Classification of Gallic Acylate Polyphenols as HSV-1 Inhibitors 期刊论文
MEDICINAL CHEMISTRY, 2014, 卷号: 10, 期号: 4, 页码: 388-401
作者:  Qiu, Xianxiu;  Zhong, Meigong;  Xiang, Yangfei;  Qu, Chang;  Pei, Ying;  Zhang, Yingjun;  Yang, Chongren;  Gasteiger, Johann;  Xu, Jun;  Liu, Zhong;  Wang, Yifei
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Artificial Neural Network  Counterpropagation Neural Networks  Gallic Acylate Polyphenol  Herpes Simplex Viruses  Self-organizing Maps  Structure-activity Relationship