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将学习方法转移到RPLC中的多目标QSRR建模中.

Priyanka Kumari1,2, Madureira Sanches Ribeiro Guilherme3, Pratyush Choudhary3

  • 1Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, CIRM, Liège, Belgium 4000.

Journal of chemical information and modeling
|September 16, 2024
PubMed
概括

本研究引入了一种转移学习方法,用于定量结构-保留关系 (QSRR) 建模,以改善小分子保留时间的预测. 多目标模型提高了准确性,有利于分析化学和制药开发.

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Improving Translational Accuracy02:07

Improving Translational Accuracy

Base complementarity between the three base pairs of mRNA codon and the tRNA anticodon is not a failsafe mechanism. Inaccuracies can range from a single mismatch to no correct base pairing at all. The free energy difference between the correct and nearly correct base pairs can be as small as 3 kcal/ mol. With complementarity being the only proofreading step, the estimated error frequency would be one wrong amino acid in every 100 amino acids incorporated. However, error frequencies observed in...
Improving Translational Accuracy02:07

Improving Translational Accuracy

Base complementarity between the three base pairs of mRNA codon and the tRNA anticodon is not a failsafe mechanism. Inaccuracies can range from a single mismatch to no correct base pairing at all. The free energy difference between the correct and nearly correct base pairs can be as small as 3 kcal/ mol. With complementarity being the only proofreading step, the estimated error frequency would be one wrong amino acid in every 100 amino acids incorporated. However, error frequencies observed in...