June 26 - 30, 2005, HPLC 2005, Stockholm, Sweden

Efficient Chiral Application Screening and Databasing

Michael McBrien, Robin Martin, Peter Frank, Frank Riley

Abstract

The process of screening of multiple methods for suitable selectivity as the first step in chiral application development has become a standard approach in developing analytical, preparative, and semi-preparative applications. If suitable selectivity is not shown, broader screens are attempted, until a viable starting point for development is found. The large number of compounds exposed to this process, in particular in the pharmaceutical discovery arena, creates an opportunity for the accumulation of a considerable knowledge base of chiral method selectivities correlated with chemical structure. It has been demonstrated that utilization of a chiral application database can increase the efficiency of method development through limitation of targeting of the screening process based on specific chemical similarities. The retention of the knowledge gained can also eliminate duplication of effort elsewhere in the organization; screening is often duplicated due to issues with information retrieval at a later point in the lifetime of the compound. Previously, the creation of a chromatographic knowledge base of this type has been hampered by the logistics of efficiently assembling chromatographic data from disparate sources with chemical structure and chromatographic method data. This paper will describe a process by which screening information is efficiently collected, evaluated, and associated with relevant structures such that chiral screening data from various systems can be made functionally available to an entire organization.

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Relevant Products: ChromManager, Web Librarian

Relevant Solution: Application Databasing