Chemistry

2001, No. 2

E.A. Kolosova, S.V. Curbatova, N.V. Solovova, E.E. Finkelshtein, S.N. Yashkin

TOPOLOGY OF ADAMANTANE DERIVATIVAS AS POLYHEDRANS

Topology of adamantane derivatives is investigated. Connectivity index of these compounds its correlations with different physico-chemical properties are examined. These investigations estimate the percularities of adamantane derivatives intermolecular interactions in gas-liquid chromatography by means of structural parame\-ters. On the base of these correlations chromatographic retention and structure-biological activity relationships of investigated substances may be calculated.

V. Garkin, S. Curbatova, N. Solovova, E. Finkelstein

COMPUTER-CHROMATOGRAPHIC SYSTEM OF THE QSPR-PROBLEM

An application of computer-chromatographic system to the problem solution of quantitative "structure - properties" relationships is investigated. Architecture of this system includes the banks of physico-chemical properties, data set for compounds molecular and electron structure, banks of correlation's.