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Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling.

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Title: Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling.
Authors: Chi Y; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Zu G; Soil-groundwater Pollution Control and Remediation Industry Alliance, Beijing, 100012, China., Ma H; Changbai Mountain Academy of Sciences, Antu, 133613, Jilin Province, China., Tao L; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Ji Y; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Zhao X; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Wang H; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Huang N; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Zhao C; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China., Yang L; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China. Yanglz2022@outlook.com.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China. Yanglz2022@outlook.com.
Source: Molecular diversity [Mol Divers] 2026 Jun 15. Date of Electronic Publication: 2026 Jun 15.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Chi+Y%22">Chi Y</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Zu+G%22">Zu G</searchLink>; Soil-groundwater Pollution Control and Remediation Industry Alliance, Beijing, 100012, China.<br /><searchLink fieldCode="AU" term="%22Ma+H%22">Ma H</searchLink>; Changbai Mountain Academy of Sciences, Antu, 133613, Jilin Province, China.<br /><searchLink fieldCode="AU" term="%22Tao+L%22">Tao L</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Ji+Y%22">Ji Y</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Zhao+X%22">Zhao X</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Wang+H%22">Wang H</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Huang+N%22">Huang N</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Zhao+C%22">Zhao C</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China.<br /><searchLink fieldCode="AU" term="%22Yang+L%22">Yang L</searchLink>; College of Resources and Environment, Jilin Agricultural University, Changchun, 130118, China. Yanglz2022@outlook.com.; Key Laboratory of Saline-Alkali Soil Reclamation and Utilization in Northeast China, Ministry of Agriculture and Rural Affairs, Beijing, P. R. China. Yanglz2022@outlook.com.
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        Value: 10.1007/s11030-026-11622-2
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      – Code: eng
        Text: English
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      – TitleFull: Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling.
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            – D: 15
              M: 06
              Text: 2026 Jun 15
              Type: published
              Y: 2026
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