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QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry | ||
| Iranian chemical communication | ||
| مقاله 6، دوره 2، Issue 4, pp. 236-325, Serial No. 5، دی 2014، صفحه 283-299 اصل مقاله (236.37 K) | ||
| نوع مقاله: Original Research Article | ||
| نویسندگان | ||
| Hadi Noorizadeh* 1؛ Sharmin Esmaeilpoor2؛ Zohreh Moghadam2؛ Shahnaz Nosratolahy3 | ||
| 1Department of Chemistry, Payame Noor University of ilam, Ilam, Iran | ||
| 2Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697 , Tehran, Iran | ||
| 3Education Ilam, Fazilat Girls High School | ||
| چکیده | ||
| The veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. Considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. A quantitative structure–retention relationship (QSRR) was developed using the partial least square (PLS), Kernel PLS (KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) approach for chemometrics study. Genetic algorithm was employed as a factor selection procedure for PLS and KPLS modeling methods. By comparing the results, GA-KPLS descriptors are selected for L-M ANN. Finally a model with a low prediction error and a good correlation coefficient was obtained by L-M ANN. This is the first research on the QSRR of veterinary drugs using the chemometrics models. | ||
| کلیدواژه‌ها | ||
| Veterinary drugs؛ Milk؛ UPLC؛ TOFMS؛ Correlation coefficient؛ QSRR | ||
| مراجع | ||
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