Analysis of 'structure-odor' relationships in frame of the topolodical models on the base of principle of structural similarity

摘要

The structural parameters of molecules and also their properties can be considered as seriall ordered sets. The analysis of a similarity (isomorphism) of such sets, utilized in the given approach for build-up of model "structure-property". Actually, the approach implementing in the quantitative form a principle of a structural similarity is offered: "Molecules, neighbor on structure, should be similar and on properties". The possibilities and limitations of the designed approach are considered. By way of illustration, the analysis relationship of "structure- odor" for organic compounds of sulfur.