Megazol is a highly active compound against Trypanosoma cruzi, and has become a core structure for the design of new trypanocidal agent. Recently, a new potent trypanocide agent Brazilizone A (a derivatives of megazol), was identified which presents an IC50 two fold more potent than the prototype megazol. This result has encouraged us to perform QSAR study on structurally-related 1,3,4-thiadiaz...

quantitative relationships between molecular structure and azolo-adamantanes derivatives were discovered by different chemometric tools including factor analysis based multiple linear regressions (fa-mlr), principle component regression analysis (pcra), and genetic algorithm-partial least squares ga-pls. the fa-mlr describes the effect of geometrical and quantum indices on enzyme inhibition act...

In the present study, two different data-driven models, artificial neural network (ANN) and multiple linear regression (MLR) models, have been developed to predict the 28 days compressive strength of concrete. Seven different parameters namely 3/4 mm sand, 3/8 mm sand, cement content, gravel, maximums size of aggregate, fineness modulus, and water-cement ratio were considered as input variables...

evaporation is one of the main parameters for the optimum operation of reservoirs, design of irrigation systems and scientific management of water resources. accurate estimation of the water evaporation level is crucial in any region especially in arid and semiarid regions. in this study, the feasibility of simulation of pan evaporation in maraghe station using the multiple regression models we...

a reliable quantitative structure retention relationship (qsrr) study has been evaluated to predict the retention indices (ris) of a broad spectrum of compounds, namely 118 non-linear, cyclic and heterocyclic terpenoids (both saturated and unsaturated), on an hp-5ms fused silica column. a principal component analysis showed that seven compounds lay outside of the main cluster. after elimination...

This research was conducted to study and classify the physico-chemicalproperties of soil, yield components of wheat and to determine the significance ofthese parameters on the grain yield formation. In this research, seven statisticalmethods consisting of simple correlation analysis (SCA), multiple linear regression(MLR), stepwise regression (SR), factor analysis (FA), principal componentanalys...

quantitative structure-activity relationship (qsar) models were employed for prediction the activity of p2x7 receptor antagonists. a data set consisted of 50 purine derivatives was utilized in the model construction where 40 and 10 of these compounds were in the training and test sets respectively. a suitable group of calculated molecular descriptors was selected by employing stepwise multiple ...

Quantitative Structure-Property Relationship (QSPR) models for modeling and predicting thermodynamic properties such as the enthalpy of vaporization at standard condition (ΔH˚vap kJ mol-1) and normal temperature of boiling points (T˚bp K) of 57 mono and Polycyclic Aromatic Hydrocarbons (PAHs) have been investigated. The PAHs were randomly separated into 2 groups: training and test sets. A set o...

The elastic pressure/volume (P/V) curve obtained by the multiple linear regression (MLR) technique using a new model, was compared with the quasi-static P/V points obtained by the rapid airway occlusion technique. Seven infants were studied during mechanical ventilation using a pressure controlled mode. The resistive pressure was subtracted from airway opening pressure, thus determining the ela...

Light Detection and Ranging (LiDAR) is a remote sensor able to extract three-dimensional information. Environmental models in forest areas have been benefited by the use of LiDAR-derived information in the last years. A multiple linear regression (MLR) with previous stepwise feature selection is the most common method in the literature to develop those models. MLR defines the relation between t...