The development cycle of a pharmaceutical discovery chemi-informatics system

摘要

The rate at which we now produce, test, and warehouse new compound structures in the Discovery process strains our ability to evaluate and comprehend the information that results [Fayyad U. Database Programming and Design 1998;11(3):24]. With the advent of robotic systems and specialized software tools, the profusion of data yielded by the pharmaceutical discovery process is testing the manageability and usefulness of the information resource. Clearly, the challenge faced by Discovery today lies not in the generation of data, but in the generation of software tools that provide the means to store, extract, analyze, and display the data contained within the this expanding resource, and thereby meet the needs of the disciplines participating in the Discovery process. In this review a schematic of a chemi-informatics system, that aids our adaptation to the evolving Discovery process and the expanded flow of pharmaceutical data, is discussed.