Generating rules for pairs — a computerized infrared spectral interpreter

Abstract A computerized spectral interpreter that attempts to parallel the reasoning used by a spectroscopist can only be as effective as the rules it employs. A detailed description of the process by which these interpretation rules are generated in the form of binary decision trees is presented. The aldehyde functionality is selected for the demonstration. Through the use of an English-like computer language to express the rules, the two major goals for the computerized interpreter of understandability and flexibility are achieved.