quantitative structure-property relationship (qspr) for estimating the adsorption of aliphatic alcohols onto activated carbon were developed using substructural molecular fragments (smf) method. the adsorption capacity of activated carbon (gr/100grc) for 150 aliphatic alcohols onto activated carbon (ac) is studied under equilibrium conditions. forward and backwards stepwise regression variable ...

The measurement and prediction of dye concentration is important in the design, planning and management of wastewater treatment. Soft computing techniques can be used as a support tool for analyzing data and making prediction. In this study, Central Composite Design (CCD) and adaptive neuro-fuzzy inference system (ANFIS) are employed to identify and predict the output intensity ratio of light t...

Pure theoretical models seeking for the length of jump is extremely difficult (if not impossible). For this reason, empirical prediction equations are normally developed using statistical multiple line regression (MLR). These models may be satisfactory enough for few numbers of variables but may predict unrealistic values when many variables are involved. Fortunately, the recently developed com...

New statistic based models provide a wide area of prediction equipments for different science areas. Among these fields biology have just entered the contest of interdisciplinary sciences. Drug discovery is a long and expensive process which could be decreased with theoretical approaches. In this study, 500 reported assayed anti cancer molecules were extracted from Science Direct articles, sket...

In the paper, a new optimal learning algorithm for a neo-fuzzy neuron (NFN) is proposed. The algorithm is characteristic in that it provides online tuning of not only the synaptic weights, but also the membership functions parameters. The proposed algorithm has both the tracking and filtering properties, so the NFN can be effectively used for prediction, filtering, and restoration of non-statio...

abstract surface soil shear strength is an effective parameter in soil erosion and runoff modeling, and known as soil erodibility index. this study was conducted to investigate and predict soil shear strength in central zagros region using multiple linear regressions (mlr). the study site was selected in rangeland and degraded-rangeland landuse with an area of 23562 ha. based on the maps of geo...

in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...

In the present work, support vector machines (SVMs) and multiple linear regression (MLR) techniques were used for quantitative structure-property relationship (QSPR) studies of retention time (t(R)) in standardized liquid chromatography-UV-mass spectrometry of 67 mycotoxins (aflatoxins, trichothecenes, roquefortines and ochratoxins) based on molecular descriptors calculated from the optimized 3...