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گواهی نمایه سازی مقاله QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry

عنوان مقاله: QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry
شناسه (COI) مقاله: JR_ICC-2-4_006
منتشر شده در فصلنامه ارتباطات شیمی ایران در سال ۱۳۹۳
مشخصات نویسندگان مقاله:

Sharmin Esmaeilpoor - Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697, Tehran, Iran
Shahnaz Nosratolahy - Education of Ilam, Fazilat Girls High School
Hadi Noorizadeh - Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697, Tehran, Iran
Zohreh Moghadam - Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697, Tehran, Iran

خلاصه مقاله:
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 andits 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 coefficientwas obtained by L-M ANN. This is the first research on the QSRR of veterinary drugs using the chemometrics models.

کلمات کلیدی:
Veterinary drugs, milk, UPLC, TOFMS, correlation coefficient, QSRR

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