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...

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Bibliographic Details
Published in:	Tonkie himičeskie tehnologii (Online) Vol. 4; no. 6; pp. 110 - 113
Main Authors:	M. I. Skvortsova, N. S. Rukk
Format:	Journal Article
Language:	Russian
Published:	MIREA - Russian Technological University 01-12-2009
Subjects:	melting point, «structure – property» model, pyrazolone derivatives
Online Access:	Get full text
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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