Abstract

The structure-property correlation relation based on the fragment descriptors of molecular structure was used for the calculation of the apoptosis-inducing activity of 3,5-diaryl-1,2,4-oxadiazoles. A set of the correlation models of similar accuracy, with different numbers of variables was obtained. Analysis of the role of various fragments allowed us to offer compounds with high activity belonging to one chemical class, which can be useful for the creation of new anticancer drugs.

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