QSAR modeling the toxicity of pesticides against Americamysis bahia

Chemosphere
Lu YangHuili Wang

Abstract

The widespread use of pesticides has received increasing attention in regulatory agencies because their extensive overuse and various adverse effects on all living organisms. Organizations such as EPA and ECHA have published laws that pesticides should be fully evaluated before bring them to market. In the present study, we evaluated the pesticides toxicity using the Quantitative Structural-Activity Relationship (QSAR) method. The models for the single class pesticides (herbicides, insecticides and fungicides) as well as the general class pesticides (the combined dataset plus some microbicides, molluscicides, etc.) were developed using the Genetic Algorithm and Multiple Linear Regression method. The internal and external validation results suggested that all the obtained models were stable and predictive. According to the modeling descriptors, the lipophilic descriptors contributed positively while all the electrotopological state descriptors showed a negative contribution, their presences in every model verified the conspicuous influence of molecular lipophilicity and hydrophilicity on the pesticides toxicity. However, the influence of topological structure descriptors was different and varies with the physiochemical informati...Continue Reading

Citations

Jul 31, 2021·Journal of Hazardous Materials·Yuanqing ZhangJinhua Wang
Sep 14, 2021·Journal of Agricultural and Food Chemistry·Yan OuyangGe-Fei Hao

❮ Previous
Next ❯

Related Concepts

Related Feeds

Antifungals

An antifungal, also known as an antimycotic medication, is a pharmaceutical fungicide or fungistatic used to treat and prevent mycosis such as athlete's foot, ringworm, candidiasis, cryptococcal meningitis, and others. Discover the latest research on antifungals here.

Related Papers

Ecotoxicology and Environmental Safety
Lu YangHuili Wang
Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases
Yanyan ZhengNian Shi
Combinatorial Chemistry & High Throughput Screening
Suezana Agatonovic-KustrinD Celebic
© 2022 Meta ULC. All rights reserved