| QSAR modeling the toxicity of pesticides against Americamysis bahia | |
Yang, Lu; Wang, Yinghuan ; Chang, Jing; Pan, Yifan; Wei, Ruojin; Li, Jianzhong; Wang, Huili
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| 2020-11 | |
| Source Publication | CHEMOSPHERE
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| ISSN | 0045-6535 |
| Volume | 258Pages:1-5 |
| 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 information they encode. Finally, the models presented in this paper would help assess the pesticides toxicity against Americamysis bahia, shorten test time, and reduce the cost of pesticides risk assessment. (C) 2020 Elsevier Ltd. All rights reserved. |
| Department | 中国科学院环境生物技术重点实验室 |
| Keyword | QSAR Americamysis bahia Toxicity Pesticides |
| Document Type | 期刊论文 |
| Identifier | https://ir.rcees.ac.cn/handle/311016/45202 |
| Collection | 中国科学院环境生物技术重点实验室 |
| Recommended Citation GB/T 7714 | Yang, Lu,Wang, Yinghuan,Chang, Jing,et al. QSAR modeling the toxicity of pesticides against Americamysis bahia[J]. CHEMOSPHERE,2020,258:1-5. |
| APA | Yang, Lu.,Wang, Yinghuan.,Chang, Jing.,Pan, Yifan.,Wei, Ruojin.,...&Wang, Huili.(2020).QSAR modeling the toxicity of pesticides against Americamysis bahia.CHEMOSPHERE,258,1-5. |
| MLA | Yang, Lu,et al."QSAR modeling the toxicity of pesticides against Americamysis bahia".CHEMOSPHERE 258(2020):1-5. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| QSAR modeling the to（834KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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