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Updated: Jul 13, 2026

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ROASMI:通过重新利用保留数据来加速小分子识别

Fang-Yuan Sun1, Ying-Hao Yin1,2, Hui-Jun Liu1

  • 1State Key Laboratory of Natural Medicines, Department of Chinese Medicines Analysis, School of Traditional Chinese Pharmacy, China Pharmaceutical University, No. 24 Tongjia Lane, Nanjing, 210009, China.

Journal of cheminformatics
|February 14, 2025
PubMed
概括

通过可靠地预测保留顺序,ROASMI模型增强了在非目标代谢学中的小分子识别. 这种方法提高了数据的可复制性,并有助于区分异构体和注释未知的化合物.

关键词:
深度学习是一种深度学习.代谢学 代谢学 代谢学可复制性 可复制性扣留命令是指一个保留命令.小分子识别小分子识别

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