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Youli Qiu, Long Jiang, Shujing Zhang & Yu Li. (2021) Molecular design of lower-oestrogen-activity phthalate acid esters with high fluorescence intensity using pharmacophore model. International Journal of Environmental Analytical Chemistry 101:7, pages 895-910.
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Cuirin Cantwell, Xing Song, Xixi Li & Baiyu Zhang. (2022) Prediction of adsorption capacity and biodegradability of polybrominated diphenyl ethers in soil. Environmental Science and Pollution Research 30:5, pages 12207-12222.
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Binxin Huang, Yu Tong, Yong Chen, Ali Eslamimanesh, Shun’an Wei & Weifeng Shen. (2022) Dual Self-Adaptive Intelligent Optimization of Feature and Hyperparameter Determination in Constructing a DNN Based QSPR Property Prediction Model. Industrial & Engineering Chemistry Research 61:32, pages 12052-12060.
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Haigang Zhang, Chengji Zhao & Hui Na. (2022) PAEs Derivatives’ Design for Insulation: Integrated In-Silico Methods, Functional Assessment and Environmentally Friendly Molecular Modification. International Journal of Environmental Research and Public Health 19:6, pages 3232.
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Jiaqi Xue, Xinyi Chen, Qing Li, Ruihao Sun, Jiapeng Xiao & Yu Li. (2021) A 3D-QSAR model for the comprehensive bioenrichment and biodegradation effect of benzotriazole ultraviolet stabilisers and application of the model in molecular modification. Environmental Science and Pollution Research 29:10, pages 14534-14551.
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Xinao Li, Yilin Hou, Qing Li, Wenwen Gu & Yu Li. (2021) Molecular design of high-efficacy and high drug safety Fluoroquinolones suitable for a variety of aerobic biodegradation bacteria. Journal of Environmental Management 299, pages 113628.
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Peixuan Sun & Wenjin Zhao. (2021) Strategies to Control Human Health Risks Arising from Antibiotics in the Environment: Molecular Modification of QNs for Enhanced Plant–Microbial Synergistic Degradation. International Journal of Environmental Research and Public Health 18:20, pages 10610.
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Kazuto Endo & Yuka Ogata. (2021) Toward Long-term Emissions Forecasts for PFASs and PCNs from Landfills最終処分場からの PFASs，PCNs の長期的な排出予測に向けて. Material Cycles and Waste Management Research 32:1, pages 50-62.
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Marta Bystrzanowska & Marek Tobiszewski. (2020) Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review. Symmetry 12:12, pages 2055.
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Haigang Zhang, Chengji Zhao & Hui Na. (2020) A Modified 3D-QSAR Model Based on Ideal Point Method and Its Application in the Molecular Modification of Plasticizers with Flame Retardancy and Eco-Friendliness. Polymers 12:9, pages 1942.
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Wenwen Gu, Qing Li & Yu Li. (2020) Environment-friendly PCN derivatives design and environmental behavior simulation based on a multi-activity 3D-QSAR model and molecular dynamics. Journal of Hazardous Materials 393, pages 122339.
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Xixi Li, Baiyu Zhang, Wendy Huang, Cuirin Cantwell & Bing Chen. (2020) Integration of Fuzzy Matter-Element Method and 3D-QSAR Model for Generation of Environmentally Friendly Quinolone Derivatives. International Journal of Environmental Research and Public Health 17:9, pages 3239.
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Wenwen Gu, Qing Li & Yu Li. (2019) Fuzzy risk assessment of modified polychlorinated naphthalenes for enhanced degradation. Environmental Science and Pollution Research 26:24, pages 25142-25153.
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Yuanyuan Zhao & Yu Li. (2019) Design of environmentally friendly neonicotinoid insecticides with bioconcentration tuning and Bi-directional selective toxic effects. Journal of Cleaner Production 221, pages 113-121.
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Nan Li, Juan Qi, Ping Wang, Xin Zhang, Tianlong Zhang & Hua Li. (2019) Quantitative structure–activity relationship (QSAR) study of carcinogenicity of polycyclic aromatic hydrocarbons (PAHs) in atmospheric particulate matter by random forest (RF). Analytical Methods 11:13, pages 1816-1821.
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Wenwen Gu, Yuanyuan Zhao, Qing Li & Yu Li. (2019) Environmentally friendly polychlorinated naphthalenes (PCNs) derivatives designed using 3D-QSAR and screened using molecular docking, density functional theory and health-based risk assessment. Journal of Hazardous Materials 363, pages 316-327.
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Youli Qiu & Yu Li. (2018) A theoretical method for the high-sensitivity fluorescence detection of PAEs through double-substitution modification. Environmental Science and Pollution Research 25:34, pages 34684-34692.
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Yuanyuan Zhao & Yu Li. (2018) Modified neonicotinoid insecticide with bi-directional selective toxicity and drug resistance. Ecotoxicology and Environmental Safety 164, pages 467-473.
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Yuanyuan Zhao, Wenwen Gu & Yu Li. (2018) Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking. Journal of Molecular Graphics and Modelling 84, pages 197-214.
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Ming Gao & Shiwei Li. Relationship between soybean yield/quality and soil quality in a major soybean-producing area based on a 2D-QSAR model. Relationship between soybean yield/quality and soil quality in a major soybean-producing area based on a 2D-QSAR model.