COMPLETE-SETS OF FRAGMENT COMPOSITIONS OF STRUCTURES FOR IR-SPECTRUM INTERPRETATION USING A DATABASE - 4 - FORMING THE MOST PROBABLE HYPOTHESIS ABOUT THE STRUCTURE OF THE UNKNOWN

This paper offers a new approach to forming hypotheses about the struc ture of organic compounds. The approach uses the fragment compositions of the structures selected by seeking analogs of the IR spectrum of t he compound in the database Even with ''noise'' fragments, the whole s et of revealed fragments may be used for generating the possible struc tures of the unknown due to the variety of intersecting fragments in t he selected structures. Forming the most plausible hypothesis about th e structure of the compound is treated in detail, and the results are shown on particular examples.