PubMed · 1134588
Solving chemical problems with pattern recognition.
Abstract
Pattern Recognition is becoming established as a general data analysis tool which has widespread applications in chemistry. Whenever something must be learned from objects (elements, compounds, and mixtures) and a chemical/physical theory has not been sufficiently developed, pattern recognition may provide a solution. Materials production problems, screening applications, source identification and structure analysis are important areas of current interest. It is expected that many more areas of application will open up in the years to come. In short, the "educated guess" is being supported by the computer; at least that is our educated guess.
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B R Kowalski, C F Bender. 1975. Solving chemical problems with pattern recognition.. https://doi.org/10.1007/bf00594036
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