Buscar
Mostrando ítems 1-10 de 61
Antimalarial activity of dihydroartemisinin derivatives against P-falciparum resistant to mefloquine: a quantum chemical and multivariate study
(Elsevier Science BvAmsterdamHolanda, 2001)
Structure-activity relationship (SAR) studies of the tripos benchmark steroids
(Elsevier Science BvAmsterdamHolanda, 2002)
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* ...
A quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activity
(Editions Scientifiques Medicales ElsevierParisFrança, 2003)
Identifying relevant molecular descriptors related to carcinogenic activity of Polycyclic Aromatic Hydrocarbons (PAHs) using pattern recognition methods
(Amer Chemical SocWashingtonEUA, 2002)
GIAO C-H COSY Simulations Merged with Artificial Neural Networks Pattern Recognition Analysis. Pushing the Structural Validation a Step Forward
(American Chemical Society, 2015-10)
The structural validation problem using quantum chemistry approaches (confirm or reject a candidate structure) has been tackled with artificial neural network (ANN) mediated multidimensional pattern recognition from ...
SAR ANALYSIS OF SYNTHETIC NEOLIGNANS AND RELATED-COMPOUNDS WHICH ARE ANTI-LEISHMANIASIS ACTIVE COMPOUNDS USING PATTERN-RECOGNITION METHODS
(Elsevier Science BvAmsterdamHolanda, 1995)