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Zhen Jia Lim1, Petar Žuvela1, Šime Ukić2

  • 1Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.

ACS omega
|February 24, 2025
PubMed
概括

新的定量结构-保留关系 (QSRR) 模型直接结合了同位素条件,提高了对色谱保留时间的预测准确性. 梯度增强回归和极端梯度增强模型在同位素和梯度化预测中表现出卓越的性能.

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