This paper proposes the application of Gaussian process regression (GPR) as an alternative regression model to resolve the hard overlapped electrochemical signals belonging to the 2,4,6trichlorophenol/2,6-dichlorophenol (TCP/DCP) system. Gaussian process derives from the perspective of Bayesian non-parametric regression methods, in terms of the parameterization of the covariance function, resul...

the acidity constants (pka) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (c-pcm) solvation model. the gasphaseenergies at the density functional theory (dft-mpw1pw91) and solvation energies athartree fock (hf) are combined to estimate the pka values which are very close to the experimentalvalues where, and ...

INTRODUCTION Cognitive performance in patients with Alzheimer's dementia (AD) and mild cognitive impairment (MCI) has been reported to be related to hippocampal atrophy and microstructural changes in white matter (WM). We aimed to predict the neurocognitive functions of patients with MCI or AD using hippocampal volumes and diffusion tensor imaging (DTI) metrics via partial least squares regress...

This study used visible and near-infrared (VIS-NIR) spectroscopy for size estimation of tomato fruits of three cultivars. A mobile, fibre-type, VIS-NIR spectrophotometer (AgroSpec, Tec 5, Germany) with spectral range of 350-2200 nm, was used to measure reflectance spectra of on-vine tomatoes growing from July to September 2010. Spectra were divided into a calibration set (75%) and an independen...

The pls package implements principal component regression (PCR) and partial least squares regression (PLSR) in R (R Development Core Team 2006b), and is freely available from the Comprehensive R Archive Network (CRAN), licensed under the GNU General Public License (GPL). The user interface is modelled after the traditional formula interface, as exemplified by lm. This was done so that people us...

Researchers from a number of disciplines have long sought the ability to estimate the functional attributes of plant canopies, such as photosynthetic capacity, using remotely sensed data. To date, however, this goal has not been fully realized. In this study, fresh-leaf reflectance spectroscopy (λ=450-2500 nm) and a partial least-squares regression (PLSR) analysis were used to estimate key dete...

Soil reflectance spectra and hyperspectral images have great potential to monitor evaluate soil texture in large-scale scenarios. In hilly areas, sand, clay, silt similar spectral characteristics visible, near-infrared, short-wave infrared (VNIR-SWIR) reflection spectra. belong mixed despite some differences particle size, mineral composition, water content, making their distinction difficult. ...

This present study aims to identify the key bioactive components in acorus tatarinowii rhizoma (ATR), a traditional Chinese medicine (TCM) with various bioactivities. Partial least squares regression (PLSR) was employed to describe the relationship between the radical scavenging activity and the volatile components. The PLSR model was improved by outlier elimination and variable selection and w...

The pls package implements Principal Component Regression (PCR) and Partial Least Squares Regression (PLSR) in R, and is freely available from the CRAN website, licensed under the Gnu General Public License (GPL). The user interface is modelled after the traditional formula interface, as exemplified by lm. This was done so that people used to R would not have to learn yet another interface, and...