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3D-WHIM pattern recognition study for bisamidines. A structure-property relationship study
(Sociedade Brasileira de Química, 2000)
Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments
(Royal Society of Chemistry, 2013-07)
GIAO NMR chemical shift calculations coupled with trained artificial neural networks (ANNs) have been shown to provide a powerful strategy for simple, rapid and reliable identification of structural misassignments of organic ...
Viral recognition by the innate immune system : the role of pattern recognition receptors.
(2011-11-11)
Pattern recognition receptors are the main sensors of the innate immune response. Their function is to recognize pathogenassociated
molecular patterns, which are molecules essential for the survival of microbial pathogens, ...
Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition
(MDPI AGBasel, 2014-02)
Chemometric pattern recognition techniques were employed in order to obtain Structure-Activity Relationship (SAR) models relating the structures of a series of adenosine compounds to the affinity for glyceraldehyde 3-phosphate ...
Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives
(Wiley-BlackwellHoboken, 2013-08-02)
Thiosemicarbazones are cruzain inhibitors which have been identified as potential antitrypanosomal agents. In this work, several molecular properties were calculated at the density functional theory (DFT)/B3LYP/6-311G* ...
Acute kidney injury: what part do toll-like receptors play?
(Dove Press, 2014-06)
The innate immune system plays an important role as a first response to tissue injury. This first response is carried out via germline-encoded receptors. Toll-like receptors (TLRs) are the first identified and best studied ...
A structure-activity relationship study of lapachol and some derivatives of 1,4-naphthoquinones against carcinosarcoma Walker 256
(Plenum Publ CorpNew YorkEUA, 1998)
Neolignan analogues tested against leishmaniasis. A study of structure-activity relationships and a proposal for the shape of the receptor cavity
(Elsevier Science BvAmsterdamHolanda, 2003)
Antimalarial activity of dihydroartemisinin derivatives against P-falciparum resistant to mefloquine: a quantum chemical and multivariate study
(Elsevier Science BvAmsterdamHolanda, 2001)