An integral strategy toward the rapid identification of analogous nontarget compounds from complex mixtures.
第一作者:
Liang,Wu
第一单位:
State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
作者:
关键词
Analogous compoundsBNNBack Propagation Neural NetworkGFAGenetic Function ApproximationHerbal medicinesLC/MS-IT-TOFMLRMSMultiple Linear RegressionNontarget analysis and Quantitative structure-retention relationship (QSRR)Organic acidsQSRRSPEmass spectrometryquantitative structure retention relationshipsolid phase extraction
医学主题词
色谱法(Chromatography);复合混合物(Complex Mixtures);中草药(Drugs, Chinese Herbal);异构现象(Isomerism);质谱分析法(Mass Spectrometry);分子结构(Molecular Structure);植物, 药用(Plants, Medicinal);量化构效关系(Quantitative Structure-Activity Relationship)
DOI
10.1016/j.chroma.2013.06.041
PMID
23838303
发布时间
2019-12-10
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