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Reference type: Journal
Authors: Kempe H, Kempe M
Article Title: QSRR analysis of β-lactam antibiotics on a penicillin G targeted MIP stationary phase.
Publication date: 2010
Journal: Analytical and Bioanalytical Chemistry
Volume: 398
Issue: (7)
Page numbers: 3087-3096.
DOI: 10.1007/s00216-010-4254-y

Abstract: The imprinting factors of the β-lactam antibiotics penicillin V, methicillin, nafcillin, oxacillin, cloxacillin, dicloxacillin, and piperacillin on a poly(methacrylic acid-co-trimethylolpropane trimethacrylate) molecularly imprinted stationary phase targeted for penicillin G were correlated with molecular descriptors obtained by molecular computation. One-parameter linear regression and multivariate data analysis by principal component analysis and partial least square regression indicated that descriptors associated with molecular topology, shape, size, and volume were highly correlated with the imprinting factor and influential on the derived models
Template and target information: penicillin G, penicillin V, methicillin, nafcillin, oxacillin, cloxacillin, dicloxacillin, piperacillin
Author keywords: β-Lactam antibiotics, molecular imprinting, Molecular computation, Multivariate data analysis, Principal component analysis, Partial least square regression


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