Maximal oxygen uptake (VO2max) is one of the most distinguished parameters in endurance sports and plays an important role, for instance, in predicting endurance performance. Different models have been used to estimate VO2max or performance based on VO2max. These models can use linear or nonlinear approaches for modeling endurance performance. The aim of this study was to estimate VO2max in hea...

Quantitative structure–retention relationship (QSRR) models correlating the retention times of diverse chlorinated pesticides, herbicides, and organohalides in gas chromatography/electron capture detector (GC/ECD) system and their structures were developed based on different multivariate regression techniques by using molecular structural descriptors.Modeling of retention times of these compoun...

Maximal oxygen uptake (VO2max) is one of the most distinguished parameters in endurance sports and plays an important role, for instance, in predicting endurance performance. Different models have been used to estimate VO2max or performance based on VO2max. These models can use linear or nonlinear approaches for modeling endurance performance. The aim of this study was to estimate VO2max in hea...

A quantitative structure-activity relationship (QSAR) study was conducted for the prediction of inhibitory activity of 1-phenyl[2H]-tetrahydro-triazine-3-one analogues as inhibitors of 5-Lipoxygenase. The inhibitory activities of the 1-phenyl[2H]-tetrahydro-triazine-3-one analogues modeled as a function of molecular structures using chemometrics methods such as multiple linear regression (MLR) ...

Principal component-genetic algorithm-multiparameter linear regression (PC-GA-MLR) and principal component-genetic algorithm-artificial neural network (PC-GA-ANN) models were applied for prediction of melting point for 323 drug-like compounds. A large number of theoretical descriptors were calculated for each compound. The first 234 principal components (PC’s) were found to explain more than 99...

A very simple, strong, descriptive and interpretable model, based on a quantitative structure– activity relationship (QSAR), is developed using multiple linear regression approach and quantum chemical descriptors derived from HF theories using 6-31G* basis set for determination of the inhibit 50% of sensitive cell growth (pLD50) of some anti-cancer drugs. By molecular modeling and calculation o...

Maximal oxygen uptake (VO2max) is one of the most distinguished parameters in endurance sports and plays an important role, for instance, in predicting endurance performance. Different models have been used to estimate VO2max or performance based on VO2max. These models can use linear or nonlinear approaches for modeling endurance performance. The aim of this study was to estimate VO2max in hea...

Quantitative relationships between structures of twenty six of 2-mercaptoimidazoles as C-C chemokine receptor type 2 (CCR2) inhibitors were assessed. Modeling of the biological activities of compounds of interest as a function of molecular structures was established by means of genetic algorithm multivariate linear regression (GA-MLR) and genetic algorithm (GA-ANN). The results showed that, the...

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 ...

the range of the soil volumetric water content at which plant growth is least limited in relation to water potential, aeration, and mechanical resistance is the least limiting water range (llwr).experimentally, measurement of llwr is expensive and time consuming. using pedotransfer functions (ptfs) can facilitate its prediction. there are, however, contradictory information about the accuracy a...