Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach

In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative description of the molecular structure. The results of calcul...

Full description

Saved in:
Bibliographic Details
Published inTonkie himičeskie tehnologii (Online) Vol. 4; no. 6; pp. 110 - 113
Main Authors M. I. Skvortsova, N. S. Rukk
Format Journal Article
LanguageRussian
Published MIREA - Russian Technological University 01.12.2009
Subjects
melting point, «structure – property» model, pyrazolone derivatives
Online AccessGet full text

Cover

More Information
Summary:In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative description of the molecular structure. The results of calculation of the melting points for a series of compounds of considered class are reported.
ISSN:2410-6593
2686-7575