a robust and reliable quantitative structure-property relationship (qspr) study was established to forecast the melting points (mps)  of a diverse and long set including 250 drug-like compounds. based on the calculated descriptors by dragon software package, to detect homogeneities and to split the whole dataset into training and test sets, a principal component analysis (pca) approach was used...

The 17β-HSD3 enzyme plays a key role in treatment of prostate cancer and small inhibitorscan be used to efficiently target it. In the present study, the multiple linear regression (MLR),and support vector machine (SVM) methods were used to interpret the chemical structuralfunctionality against the inhibition activity of some 17β-HSD3inhibitors. Chemical structuralinformation were described thro...

introduction: with using multiple linear regression (mlr), can simultaneously analyses several different variables, but to get the desirable results from the mlr, the samples must be much and accurate. therefore, this method has high sensitivity and may cause errors in results. in addition, to use this method, the variable must have normal distribution and modification follow from a linear rela...

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...

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...

Histamine H3 receptor subtype has been the target of several recent drug development programs. Quantitative structure-activity relationship (QSAR) methods are used to predict the pharmaceutically relevant properties of drug candidates whenever it is applicable. The aim of this study was to compare the predictive powers of three different QSAR techniques, namely, multiple linear regression (MLR)...

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...

the purpose of this work is to promote and facilitate forensic profiling and chemical analysis of illicit drug samples in order to determine their origin, methods of production and transfer through the country. the article is based on the gas chromatography analysis of heroin samples seized from three different locations in serbia. chemometric approach with appropriate statistical tools (multip...

The objectives of this trial were to develop multiple linear regression (MLR) models and three-layer Levenberg-Marquardt back propagation (BP3) neural network models using the Cornell Net Carbohydrate and Protein System (CNCPS) carbohydrate fractions as dietary variables for predicting in vitro rumen volatile fatty acid (VFA) production and further compare MLR and BP3 models. Two datasets were ...