Coping with the Information Explosion Provided by Modern Chemical Instrumentation

摘要

Modern chemical instrumentation is capable of generating enormous amounts of data in very short periods of time. It is clear that a major task of scientists for the near future is to develop techniques to utilize more effectively this capability, in order to avoid the typical dilemma of being buried in data with little or no perspective of the information content. Thus, there are three key developments that must be pursued: definition of information content; identification of methods to correlate instrumental parameters with information content; and development of tools for the instrumental enhancement of information content and the efficient extraction of information from data. These developments should allow the evolution of smart instruments, perhaps guided by artificial intelligence principles. This paper will describe some of the principles and tools that have already been developed, and will identify the areas where work needs to be done. Keywords: Computer automation; Information theory; Multivariate analysis; Pattern recognition; Chemical instrumentation; Analytical chemistry; Digital computers.