1. 毕业设计（论文）的内容和要求
QSAR(Quantitative Structure-Activity Relationship) is powerful tool for correlation structure information of compounds with their activities. The obtained model could be used for ecological analysis. In this study, linear correlations will be compared for EC50.
2. 参考文献
Aruoja, V., Moosus, M., Kahru, A., Sihtmaee, M., Maran, U. 2014. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere, 96, 23-32.Cho, C.W., Zhao, Y., Yun, Y.S. 2019. QSAR modelling for predicting adsorption of neutral, cationic, and anionic pharmaceuticals and other neutral compounds to microalgae Chlorella vulgaris in aquatic environment. Water Res, 151, 288-295.Fu, L., Huang, T., Wang, S., Wang, X., Su, L., Li, C., Zhao, Y. 2017. Toxicity of 13 different antibiotics towards freshwater green algae Pseudokirchneriella subcapitata and their modes of action. Chemosphere, 168, 217-222.Huang, H., Xiao, X., Shi, J., Chen, Y. 2014. Structure-activity analysis of harmful algae inhibition by congeneric compounds: case studies of fatty acids and thiazolidinediones. Environmental Science and Pollution Research, 21(11), 7154-7164.Khan, K., Roy, K. 2019. Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach. SAR AND QSAR IN ENVIRONMENTAL RESEARCH.Kusk, K.O., Christensen, A.M., Nyholm, N. 2018. Algal growth inhibition test results of 425 organic chemical substances. Chemosphere, 204, 405-412.Sangion, A., Gramatica, P. 2016. Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity. Environment international, 95, 131-143.Tugcu, G., Sacan, M.T. 2018. A multipronged QSAR approach to predict algal low-toxic-effect concentrations of substituted phenols and anilines. Journal of Hazardous Materials, 344, 893-901.Zeng, M., Lin, Z., Yin, D., Zhang, Y., Kong, D. 2011. A K (ow) -Based QSAR Model for Predicting Toxicity of Halogenated Benzenes to all Algae Regardless of Species. Bulletin of Environmental Contamination and Toxicology, 86(6), 565-570.
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