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 this study, artificial neural networks (ANNs) and adaptive neuro-fuzzy inference system (ANFIS) were used to estimate shear stress distribution in streams. The methods were applied to the 145 field data gauged from four different sites on the Sarimsakli and Sosun streams in Turkey. The accuracy of the applied models was compared with the multiple-linear regression (MLR). The results showed t...

the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each comp...

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...

qspr study on benzene derivatives have been made using recently introduced topological methodology. in this study the relationship between the randic' (x'), balaban (j), szeged (sz),harary (h), wiener (w), hyperwiener and wiener polarity (wp) to the thermal energy (eth), heat capacity (cv) and entropy (s) of benzene derivatives is represented.physicochemical properties are taken from the quantu...

The quantitative structure property relationship (QSPR) for supercooled liquid vapour pressures (pL) of polybrominated diphenyl ethers (PBDEs) was investigated. The molecular distance–edge vector (MDEV) index was used as the structural descriptor. The quantitative relationship between the MDEV index and log pL was modelled by multivariate linear regression (MLR) and an artificial neural network...

Though one of the most significant driving forces behind ecological processessuch as biogeochemical cycles and energy flows, solar radiation data are limited or non-existent by conventional ground-based measurements, and thus, often estimated from othermeteorological data through (geo)statistical models. In this study, spatial and temporalpatterns of monthly average daily solar radiation on a h...

BACKGROUND In the nutrition literature, there are several reports on the use of artificial neural network (ANN) and multiple linear regression (MLR) approaches for predicting feed composition and nutritive value, while the use of support vector machines (SVM) method as a new alternative approach to MLR and ANN models is still not fully investigated. METHODS The MLR, ANN, and SVM models were d...

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 ...