Analytical chemistry of the recent years is strongly influenced by
automation. Data acquisition from analytica instruments - and some
times also controlling of instruments - by a computer are
principally solved since many years. Availability of microcomputers
made these tasks also feasible from the economic point of view.
Besides these basic applications of computers in chemical
measurements scientists developed computer programs for solving
more sophisticated problems for which some kind of "intelligence"
is usually supposed to be necessary. Harm less numerical
experiments on this topic led to passionate discussions about the
theme "which jobs cannot be done by a computer but only by human
brain ? . If this question is useful at all it should not be ans
wered a priori. Application of computers in chemistry is a matter
of utility, sometimes it is a social problem, but it is never a
question of piety for the human brain. Automated instruments and
the necessity to work on complex pro blems enhanced the development
of automatic methods for the reduction and interpretation of large
data sets. Numerous methods from mathematics, statistics,
information theory, and computer science have been exten sively
investigated for the elucidation of chemical information; a new
discipline "chemometrics" has been established. Three different
approaches have been used for computer-assisted interpretations of
chemical data. 1. Heuristic methods try to formu late computer
programs working in a similar way as a chemist would solve the
problem. 2."
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