Quantitative structure‐toxicity relationship of some new oximido compounds
In: Toxicological and Environmental Chemistry, Jg. 69 (1999-03-01), Heft 1-2, S. 225-228
Online
serialPeriodical
Zugriff:
In this paper, Energy of highest occupied molecular orbital (Ehomo) of frontier molecular orbital (FMO), molecular connectivity (nXv) indices and partition coefficients (Kow) of organic chemicals were used to study the structure and activity of some new oximido compounds. The quantitative molecular structure‐activity relationship (QSAR) models on toxic effect were established to predict the acute toxicity on mouse and other animals for the oximido chemicals through a quantitative analysis of molecular parameters and toxicological data, therefore the toxicity of organic oximido compounds can be assessed.
Titel: |
Quantitative structure‐toxicity relationship of some new oximido compounds
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Autor/in / Beteiligte Person: | Kong, Zhiming ; Liu, Zhengtao ; Wang, Liansheng |
Link: | |
Zeitschrift: | Toxicological and Environmental Chemistry, Jg. 69 (1999-03-01), Heft 1-2, S. 225-228 |
Veröffentlichung: | 1999 |
Medientyp: | serialPeriodical |
ISSN: | 0277-2248 (print) ; 1029-0486 (print) |
DOI: | 10.1080/02772249909358704 |
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