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Updated: Jun 3, 2025

Simple In-House Ultra-High Performance Capillary Column Manufacturing with the FlashPack Approach
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Published on: December 4, 2021

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一种可概括的方法来预测小分子制药化合物的保留时间,跨逆相HPLC列

Zhenqi Shi1, Yuyan Yi1, Eddie Madrigal1

  • 1Synthetic Molecule Pharmaceutical Science, gRED, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, United States.

Journal of chromatography. A
|January 11, 2025
PubMed
概括

本研究引入了一种新的定量结构保留关系 (QSRR) 框架,用于预测不同HPLC列和方法的染色学保留时间. 这种方法使用机器学习和多列数据库来实现准确的保留时间转移,而无需对新列的先前数据.

关键词:
人工神经网络 (ANN) 是一个人工神经网络.疏水式减法模型 (HSM)机器学习 (ML) 是指机器学习.部分最小平方 (PLS)定量结构保留关系 (QSRR) 是指保留时间建模.

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