Modeling of the relative activity of monomers in radical copolymerization by optimization of the correlation weights of local graph invariants

A. A. Toropov, V. O. Kudyshkin, N. L. Voropaeva, I. N. Ruban, S. Sh Rashidova

Research output: Contribution to journalArticle

Abstract

The study was aimed at verifying a concept of construction of one-parameter correlations structure-property for modeling the copolymerization constants. For a series of monomers, one-parameter models of copolymerization constants based on the adaptive descriptors calculated from the correlation weights of local invariants of the molecular graphs were developed. It is shown that these models have better statistical characteristics than the models calculated with the Q-e parameters.

Original languageEnglish
Pages (from-to)760-763
Number of pages4
JournalVysokomolekularnye Soedineniya. Ser.A Ser.B Ser.C - Kratkie Soobshcheniya
Volume43
Issue number4
Publication statusPublished - 2001

ASJC Scopus subject areas

  • Materials Chemistry
  • Polymers and Plastics

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