Dendral
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Dendral was one of the earliest expert systems. It was designed to analyse mass spectra. For the purpose of this description, a mass spectrum is a particular trace or analytical record formed when a molecule is bombarded with electrons. Each molecule has its own spectrum, determined by the way it breaks into fragments when hit. Chemists have charts of mass spectra for some common molecules. And they know some general rules that determine how a given type of molecule will break up, and what kind of spectrum it will give. But identifying a new molecule from its spectrum is not easy.
Be warned. Dendral did contain rules, but it worked differently from most expert systems. Mycin is more typical.