May 16, 2002, 19th Annual Triangle Chromatography Symposium (TCDG)

HPLC Separation of Novel Compounds: Utilizing Prior Chromatographic Knowledge and Physicochemical Prediction

Daria Jouravleva, Sherry Gregory

Abstract

HPLC method development with ACD takes advantage of chemical structures and physicochemical properties of compounds. The prediction of octanol-water partition coefficients and pKa values is coupled with the comprehensive applications database that can be searched by any chromatographic parameter and by the chemical structural fragment. A new separation method is proposed before any injection is done. If needed, it can be modified after first two runs by simultaneous optimization for several parameters, including robustness. The talk will discuss the fundamentals of ACD chromatographic method development software tool and present examples of its use for HPLC separation.

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