Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/106419
Type: Artigo de periódico
Title: A Priori Descriptors In Qsar: A Case Of Gram-negative Bacterial Multidrug Resistance To β-lactams
Author: Kiralj R.
Ferreira M.M.C.
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.
Editor: 
Rights: fechado
Identifier DOI: 
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-60649098548&partnerID=40&md5=00b72082ed7a9d69a7a11b4d03adad05
Date Issue: 2008
Appears in Collections:Unicamp - Artigos e Outros Documentos

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