Cilnidipine is a 1,4-dihydropyridine derived L/N-type calcium channel dual blocker possessing neuroprotective and analgesic effects which are related to its N-type calcium channel inhibitory activity. Calcium channel blockers are widely used for the treatment of various cardiac disorders. The existing calcium channel blockers have several short comings; hence there is a need to develop better d...

INTRODUCTION Tacrolimus is an important immunosuppressive drug for organ transplantation patients. It has a narrow therapeutic range, toxic side effects, and a blood concentration with wide intra- and interindividual variability. Hence, it is of the utmost importance to monitor tacrolimus blood concentration, thereby ensuring clinical effect and avoiding toxic side effects. Prediction models fo...

The antiviral drugs that inhibit human immunodeficiency virus (HIV) entry to the target cells are already in different phases of clinical trials. They prevent viral entry and have a highly specific mechanism of action with a low toxicity profile. Few QSAR studies have been performed on this group of inhibitors. This study was performed to develop a quantitative structure-activity relationship (...

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...

malaria is a parasitic disease with limited chemotherapy options. chemotherapy options are limited; moreover, drug resistant frequently occurs. the speed of drug development should be faster to overcome the emerging drug resistance. in the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...

The support vector machine (SVM), as a novel type of learning machine, for the first time, was used to develop a Quantitative Structure-Property Relationship (QSPR) model of the heat capacity of a diverse set of 182 compounds based on the molecular descriptors calculated from the structure alone. Multiple linear regression (MLR) and radial basis function networks (RBFNNs) were also utilized to ...

The data is obtained from exploring the modulatory activities of bioflavonoids on P-glycoprotein function by ligand-based approaches. Multivariate Linear-QSAR models for predicting the induced/inhibitory activities of the flavonoids were created. Molecular descriptors were initially used as independent variables and a dependent variable was expressed as pFAR. The variables were then used in MLR...

In the development of unconventional shale resources, production forecasts are fraught with uncertainty, especially in absence a full, multi-data study reservoir characterization. To forecast Duvernay gas vicinity Fox Creek, Alberta, multi-scale experimental findings thoroughly evaluated. The relationship between and parameters is assessed using multiple linear regression (MLR). Three hundred f...

Antitubercular activity of 5-nitrofuran-2-yl Derivatives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an effort to derive and understand a correlation between the biological activity as response variable and different molecular descriptors as independent variables. QSAR models are built using 40 molecular descriptor dataset. Different statistical re...

Forests play a vital role in terrestrial carbon cycling; therefore, monitoring forest biomass at local to global scales has become a challenging issue in the context of climate change. In this study, we investigated the backscattering properties of Advanced Land Observing Satellite (ALOS) Phased Array L-band Synthetic Aperture Radar (PALSAR) data in cashew and rubber plantation areas of Cambodi...