Norm Indexes-Based QSAR Model for Acute Toxicity of Pesticides Towards Rainbow Trout.

The aquatic ecological environment is being threatened due to overuse of pesticides, and the aquatic toxicity towards rainbow trout (Oncorhynchus mykiss) plays a significant role in environmental risk assessment of agrochemicals. In the present work, two norm index formulas were developed, from which several norm descriptors were derived. A quantitative structure-activity relationship (QSAR) model was established for the prediction of acute toxicity (LC50 ) towards rainbow trout of various pesticides. Results indicated that the present QSAR model presented R2 of 0.8053. Meanwhile, internal validation (QLOO 2 =0.7606), external validation (Rtraining 2 =0.8011, Rtesting 2 =0.8108), Y-randomization test and applicability domain analysis further demonstrated the stability, reliability and wide application domain of the present QSAR model. Accordingly, these norm descriptors might be applicable to describe the structures of pesticides for predicting the acute toxicity to aquatic organism. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.