APPLICATIONS OF MOLECULAR CONNECTIVITY INDICES AND MULTIVARIATE ANALYSIS IN ENVIRONMENTAL CHEMISTRY.

Gerald J Niemi, Ronald R. Regal, Gilman D. Veith

Research output: Contribution to journalConference article

Abstract

Although models are available to assess the environmental effects for some groups of chemicals, new compounds often cannot be categorized into one group or another. To overcome this weakness, the authors are developing a structure-activity strategy that is conceptually applicable to all chemicals. Molecular connectivity indices are used which consist of four primary terms (paths or straight chains, clusters or branches, path/clusters, and cycles). Connectivity indices and multivariate techniques are useful in some applications and limited in others. A powerful practical application of this approach is that a variety of parameters can now be calculated for nearly all chemicals.

Original languageEnglish (US)
Pages (from-to)159-161
Number of pages3
JournalNational Meeting - American Chemical Society, Division of Environmental Chemistry
Volume24
Issue number2
StatePublished - Dec 1 1984

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