A new method for the characterization of chemical libraries – solely by HPLC retention times

Erich Graf von Roedern
Hoechst Marion Roussel, Chemical Research, G838, D-65926 Frankfurt, Germany
E-mail: Erich.Roedernvon@hmrag.com

Abstract
A method has been developed for the assignment of HPLC peaks to their corresponding compounds in libraries of single compounds (parallel syntheses). The basis of the new method is the correlation of the product retention times with the different substituents in the variable positions of the molecule. The correlation is performed automatically by a new algorithm which is part of the computer program LIBFINDER. This practical, easy-to-use tool accelerates the analysis, characterization and purification of chemical libraries, without the need for expensive HPLC-MS equipment.

Keywords
analytical methods, chemical libraries, HPLC, quantitative structure property relationship (QSPR)