Parallel synthesis and automated data analysis: a versatile decision tool

Abstract

The problems associated with the use of combinatorial chemistry in lead generation and optimization are discussed. A post‐synthesis data evaluation process is described which can cope with large data sets from parallel synthesis effects. It relies on analysis of purity as well as on identification, and can efficiently limit compounds screened to manageable numbers. © 1999 Society of Chemical Industry

Current Application of Mass Spectrometry to Combinatorial Chemistry

“…An integrated analytical-and preparative-scale LC/MS system was employed for the purification of solution-phase parallel libraries by Diggelmann (112,113) in support of agrochemical research. The purification is accomplished by mass-triggered HPLC on a system wherein analytical and preparative HPLC systems are setup in parallel, either of which can be sent through MS, UV, and ELSD detectors.…”