Explicit relation between thin film chromatography and column chromatography conditions from statistics and machine learning.

ABSTRACT: In chemistry, empirical paradigms prevail, especially within the realm of chromatography, where the selection of separation conditions frequently relies on the chemist's experience. However, the underlying rationale for such experiential knowledge has not been established or analysed. This study explicitly elucidates how chemists use thin-layer chromatography (TLC) to determine column chromatography (CC) conditions, employing statistical analysis and machine learning techniques. An experimental dataset of the CC is generated from the automatic platform developed in this study. On this basis, an "artificial intelligence (AI) experience" is generated through a knowledge discovery framework, where the relationship between the retardation factor (R_F) value from TLC and retention vol

SUBMITTER: Xu H 

PROVIDER: S-EPMC11743788 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature