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|Type:||Artigo de periódico|
|Title:||A Priori Descriptors In Qsar: A Case Of Gram-negative Bacterial Multidrug Resistance To β-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 β-lactams, and two partial least squares regression models were constructed and cross-validated. These a priori models (Q2 > 0.80, R2 > 0.95, SEV < 0.50) are comparable with the previously obtained computed models. β-Lactam intramolecular and β-lactam-receptor intermolecular interactions are also discussed in terms of molecular descriptors.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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