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Development of a novel mathematical model using a group contribution method for prediction of ionic liquid toxicities 总被引:2,自引:0,他引:2
Ismail Hossain M Samir BB El-Harbawi M Masri AN Abdul Mutalib MI Hefter G Yin CY 《Chemosphere》2011,85(6):990-994
A new mathematical model has been developed that expresses the toxicities (EC50 values) of a wide variety of ionic liquids (ILs) towards the freshwater flea Daphnia magna by means of a quantitative structure-activity relationship (QSAR). The data were analyzed using summed contributions from the cations, their alkyl substituents and anions. The model employed multiple linear regression analysis with polynomial model using the MATLAB software. The model predicted IL toxicities with R2 = 0.974 and standard error of estimate of 0.028. This model affords a practical, cost-effective and convenient alternative to experimental ecotoxicological assessment of many ILs. 相似文献
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A review about COVID-19 in the MENA region: environmental concerns and machine learning applications
Meskher Hicham Belhaouari Samir Brahim Thakur Amrit Kumar Sathyamurthy Ravishankar Singh Punit Khelfaoui Issam Saidur Rahman 《Environmental science and pollution research international》2022,29(55):82709-82728
Environmental Science and Pollution Research - Coronavirus disease 2019 (COVID-19) has delayed global economic growth, which has affected the economic life globally. On the one hand, numerous... 相似文献
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