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1988
Conference Paper
Title
Quantum chemical parameters for the QSAR description of the acute fish toxicity.
Other Title
Quantenchemische Parameter für die QSAR-Beschreibung der akuten Fischtoxizität
Abstract
The 14-day LC50 of 10 organophosphorus compounds is analysed with respect to quantum chemical descriptors. The results show that the Superdelocalizability and the Electronegativity as calculated within the MNDO scheme lead to QSAR equations log 1/LC50 = a log Pow + b x + c (x = quantum chemical parameter) which are of similar quality as Hermens' QSAR approach. (IUCT)