Analysis and Interpretation of Structure-Toxicity Relationships for a Series of Organophosphorus Insecticides
M. Zahouily1*, A. Rhihil1,2, S. Sebti2, D. Zakarya1
1UFR Chimie Appliquée, Laboratoire de Synthèse Organique et Traitement de l'Information Chimique, Département de Chimie, Faculté des Sciences et Techniques, B.P. 146, Mohammadia 20650, Maroc
2Laboratoire de Chimie Organique Appliquée (LCOA), Faculté des Sciences Ben M'Sik, Université Hassan II- Mohammadia, B. P. 7955 Sidi Othmane Casablanca, Maroc
* Corresponding author. E-mail : firstname.lastname@example.org
Received : 28 November 2001; revised version accepted : 07 July 2002
Structure-toxicity relationships were studied for a set of 67 insecticides by means of multiple linear regression (MLR). The values of log LD50 (lethal dose 50, oral, rat) of the studied compounds were well correlated with the descriptors encoding the chemical structures. Considering the pertinent descriptors, a correlation coefficient of 0.87 (s = 0.42, n = 67) was obtained for the MLR model. The present study suggests a quantitative interpretation of the structure-toxicity relationships which otherwise cannot be explained within the framework of the insecticides. This information is pertinent to the further design of new insecticides.
Keywords: MLR; Organophosphorus; Insecticides; Acute LD50; Descriptors.