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Updated: Jun 2, 2025

Preparation of Human Tissues Embedded in Optimal Cutting Temperature Compound for Mass Spectrometry Analysis
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ABCoRT:通过原子-键共学习对代谢物识别的保留时间预测

Guangbin Cheng1, Bingyi Wang2,3, Nannan Bai2,3

  • 1School of Information Science and Engineering, Yunnan University, Kunming650091,China.

Journal of chemical information and modeling
|January 17, 2025
PubMed
概括

准确预测代谢物保留时间对于非目标代谢学至关重要. 新的ABCoRT (Atom-Bond Co-learning for Retention Time) 模型增强了分子表示,以提高预测准确性和代谢物查.

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