Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/76664
Type: Artigo de periódico
Title: A Priori Descriptors in QSAR: a Case of Gram-Negative Bacterial Multidrug Resistance to beta-Lactams
Author: Kiralj, R
Ferreira, MMC
Abstract: Over hundred new a priori global/local molecular descriptors that encoded steric, topological, electronic, hydrogen bonding. compositional and hydrophobic properties were generated for 16 beta-lactams. and two partial least squares regression models were constructed and cross-validated. These a priori models (Q(2) > 0.90, R(2) > 0.95 SEV < 0.50) are comparable with the previously obtained computed models. beta-lactam intramolecular and beta-lactam-receptor intermolecular interactions are also discussed in terms of molecular descriptors.
Subject: gram-negative bacteria
multidrug resistance
beta-lactam antibiotics
quantitative structure-activity relationships
exploratory analysis
chemometrics
Country: Croácia
Editor: Croatian Chemical Soc
Rights: aberto
Date Issue: 2008
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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