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|Type:||Artigo de periódico|
|Title:||A Priori Descriptors in QSAR: a Case of Gram-Negative Bacterial Multidrug Resistance to beta-Lactams|
|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.|
quantitative structure-activity relationships
|Editor:||Croatian Chemical Soc|
|Appears in Collections:||Artigos e Materiais de Revistas Científicas - Unicamp|
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