Antitubercular activity of 5-nitrofuran-2-yl Derivatives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an effort to derive and understand a correlation between the biological activity as response variable and different molecular descriptors as independent variables. QSAR models are built using 40 molecular descriptor dataset. Different statistical re...

Antitubercular activity of Sulfathiazole Derivitives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an attempt to derive and understand a correlation between the Biologically Activity as dependent variable and various descriptors as independent variables. QSAR models generated using 28 compounds. Several statistical regression expressions were obtaine...

Benzo[c]phenanthridine (BCP) derivatives were identified as topoisomerase I (TOP-I) targeting agents with pronounced antitumor activity. In this study, hologram-QSAR, 2D-QSAR and 3D-QSAR models were developed for BCPs on topoisomerase I inbibitory activity and cytotoxicity against seven tumor cell lines including RPMI8402, CPT-K5, P388, CPT45, KB3-1, KBV-1and KBH5.0. The hologram, 2D, and 3D-QS...

ABSTRACT The activity coefficient of oxygen [Formula: see text] in liquid Ag and binary Ag-Te dilute alloys were determined between 1,285 and 1,485 K by coulometric titration using the electrochemical cell (Ir, [O] in liquid metal or alloy | yttria stabilized zirconia | air, Pt). The experimental and evaluation procedures described in the literature were adopted. The oxygen activity coefficient...

PM3 semi-empirical method was used to develop the quantitative structure-activity relationship (QSAR) for predicting the anticonvulsant activity of some acetamido-N-benzylacetamide derivative. In order to to find the optimized geometry of the studied molecules, three types of molecular descriptors were used in deriving quantitative relation between anticonvulsant activity and structural propert...

The vapor pressures and the aqueous solubilities of 411 compounds with a large structural diversity were investigated using a quantitative structure-property relationship (QSPR) approach. A five-descriptor equation with the squared correlation coefficient (R2) of 0.949 for vapor pressure and a six-descriptor equation with R2 of 0.879 for aqueous solubility were obtained. All descriptors were de...

Introduction: Physical activity in Brazil is assessed by the Telephone-based Risk Factor Surveillance System for Chronic Diseases (VIGITEL). Objectives: To evaluate the reliability and concurrent validity of VIGITEL physical activity indicators. Methods: For the reliability study, 305 individuals responded to VIGITEL interviews, which were repeated with intervals of 7 - 15 days, in Belo Hor...

QSPR correlation equations were developed for the prediction of the solubilities of organic gases and vapors in water. A two-parameter correlation with the squared correlation coefficient R2 ) 0.977 gives excellent predictions for 95 alkanes, cycloalkanes, alkenes, alkylarenes, and alkynes. A satisfactory description (R2 ) 0.941) of the gas solubilities of 406 organic compounds with a large str...

On the other hand, in [3] there were constructed for each α < 1 examples of A with coefficients of regularity C for which the same estimates fail to hold. The first author then showed in [1] that, in space dimensions 2 and 3, the estimates do hold if the coefficients of A are C. The second author subsequently showed in [4] that the estimates hold for C metrics in all space dimensions, and that ...