“…All spectra for which their compounds are shown (containing C, , O, N, S, halogen, or metal atoms) from the books by Silverstein and Bassler, 16 Nakanishi,17 and Pasto and Johnson18 are included in the test set. Three additional sources of spectra are the Sadtler collection,19 Umezawa's index of antibiotics,20 and an article by Hayden et al 21 It would be unrealistic to expect a program to select only the correct classes from the 159 possible classes every time. A chemist could not perform with absolute accuracy, and since the program parallels the reasoning of a chemist, it should be expected to perform nearly as well as the chemist, but no better.…”