INTERPRETATION OF IR-SPECTRA USING COMPLETE-SETS OF FRAGMENT COMPOSITIONS AND AN IR SEARCH SYSTEM .2. DETERMINATION OF MICROFRAGMENT COMPOSITIONS OF ORGANIC-COMPOUNDS

Identification of fragments of organic compounds by the IR spectra of the latter using complete sets of fragments and an IR database of more than 11,000 complete spectra and structures of organic compounds is t reated Probability and reliability of identification are estimated, an d types of revealed fragments are examined. For many fragments, automa tic identification is possible. The influence of the threshold and non random occurrences of the fragment in the resulting list of structures on the efficiency of identification are considered. The reliability o f identification is justified statistically.