Related Experiment Video
Updated: Jul 12, 2025

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
In silico environmental risk assessment improves efficiency for pesticide safety management
Yang-Yang Gao1, Wei Zhao1, Yuan-Qin Huang1
1National Key Laboratory of Green Pesticide, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for Research and Development of Fine Chemicals, Guizhou University, Guiyang 550025, PR China.
Abstract:
Pesticides are indispensable to maintain crop quality and food production worldwide, but their use also poses environmental risks. Pesticide risk assessment involves a series of complex, expensive and time-consuming toxicity tests. To improve the efficiency and accuracy for assessing the environmental impact of pesticides, numerous computational tools have been developed. However, there is a notable deficiency in critical analysis or a systematic summary of environmental risk assessment tools and their applicable contexts. Here, many of the current approaches and tools for assessing environmental risks posed by pesticides are reviewed, and the question of whether these tools are fit for use on complex multicomponent scenarios is discussed. We analyze the adaptations of these tools to aquatic and terrestrial ecosystems, followed by the provision of resources for predicting pesticide concentrations in environmental medias, including air, soil and water. The successful application of computational tools for risk assessment and interpretation of predicted results will also be discussed. This assessment serves as a valuable resource, enabling scientists to utilize suitable models to enhance the robustness of pesticides risk assessments.

