Search results for "Discriminant"
showing 10 items of 344 documents
A rapid method for the differentiation of yeast cells grown under carbon and nitrogen-limited conditions by means of partial least squares discrimina…
2012
This paper shows the ease of application and usefulness of mid-IR measurements for the investigation of orthogonal cell states on the example of the analysis of Pichia pastoris cells. A rapid method for the discrimination of entire yeast cells grown under carbon and nitrogen-limited conditions based on the direct acquisition of mid-IR spectra and partial least squares discriminant analysis (PLS-DA) is described. The obtained PLS-DA model was extensively validated employing two different validation strategies: (i) statistical validation employing a method based on permutation testing and (ii) external validation splitting the available data into two independent sub-sets. The Variable Importa…
Classification of Pecorino cheeses produced in Italy according to their ripening time and manufacturing technique using Fourier transform infrared sp…
2010
Fourier-transform infrared spectroscopy, followed by linear discriminant analysis of the spectral data, was used to classify Italian Pecorino cheeses according to their ripening time and manufacturing technique. The Fourier transform infrared spectra of the cheeses were divided into 18 regions and the normalized absorbance peak areas within these regions were used as predictors. Linear discriminant analysis models were constructed to classify Pecorino cheeses according to different ripening stages (hard and semi-hard) or according to their manufacturing technique (fossa and nonfossa cheeses). An excellent resolution was achieved according to both ripening time and manufacturing technique. A…
Determination of the cultivar and aging of Sicilian olive oils using HPLC-MS and linear discriminant analysis
2010
A large number of certified samples (84) of Sicilian olive oils arising from the eight cultivars most represented in Sicily (Biancolilla, Cerasuola, Moresca, Nocellara del Belice, Nocellara Etnea, Oglialora Messinese, Brandofino and Tonda Iblea) have been collected and analyzed by HPLC/MS using an atmospheric pressure chemical ionization (APCI) source. The sample preparation is very simple; in fact, the oil samples are diluted without any chemical derivatization. A following statistical data treatment by general discriminant analysis (GDA) allows the determination of the olive oil cultivar. Furthermore, changes in the composition of glyceridic components of the olive oils lead to easy discr…
Multi-class pairwise linear dimensionality reduction using heteroscedastic schemes
2010
Accepted version of an article published in the journal: Pattern Recognition. Published version on Sciverse: http://dx.doi.org/10.1016/j.patcog.2010.01.018 Linear dimensionality reduction (LDR) techniques have been increasingly important in pattern recognition (PR) due to the fact that they permit a relatively simple mapping of the problem onto a lower-dimensional subspace, leading to simple and computationally efficient classification strategies. Although the field has been well developed for the two-class problem, the corresponding issues encountered when dealing with multiple classes are far from trivial. In this paper, we argue that, as opposed to the traditional LDR multi-class schemes…
Validating a Test for Measuring Knowledge and Understanding of Economics Among University Students
2019
Abstract. University students' knowledge and understanding of economics have mostly been investigated cross-sectionally; however, longitudinal analyses are needed to determine which factors influence knowledge development and to draw valid conclusions based on test results. In the WiWiKom II project, a quasi-experimental longitudinal study was conducted assessing bachelor students of business and economics over the course of their studies in Germany (N = 39 universities). In this project, running from 2016 – 2019, the test-takers complete the WiWiKom II-test of economic knowledge (adapted TUCE4G and TEL4G items) and a general cognitive ability test (BEFKI 11) at four measurement points, ea…
Evaluation of the effect of chance correlations on variable selection using Partial Least Squares -Discriminant Analysis
2013
Variable subset selection is often mandatory in high throughput metabolomics and proteomics. However, depending on the variable to sample ratio there is a significant susceptibility of variable selection towards chance correlations. The evaluation of the predictive capabilities of PLSDA models estimated by cross-validation after feature selection provides overly optimistic results if the selection is performed on the entire set and no external validation set is available. In this work, a simulation of the statistical null hypothesis is proposed to test whether the discrimination capability of a PLSDA model after variable selection estimated by cross-validation is statistically higher than t…
QSPR/QSAR Studies of 2-Furylethylenes Using Bond-Level Quadratic Indices and Comparison with Other Computational Approaches
2017
The recently introduced, non-stochastic and stochastic quadratic indices (Marrero-Ponce <em>et al. J. Comp. Aided Mol. Des.</em> 2006, 20, 685-701) were applied to QSAR/QSPR studies of heteroatomic molecules. These novel bond-based molecular descriptors (MDs) were used for the prediction of the partition coefficient (log P), and the antibacterial activity of 34 derivatives of 2-furylethylenes. Two statistically significant QSPR models using non-stochastic and stochastic bond-based quadratic indices were obtained (R<sup>2</sup> = 0.971, s = 0.137 and R<sup>2</sup> = 0.986, s = 0.096). These models showed good stability to data variation in leave-one-out (L…
A New Technique for Vibration-Based Diagnostics of Fatigued Structures Based on Damage Pattern Recognition via Minimization of Misclassification Prob…
2017
Vibration-based diagnostics provide various methods to detect, locate, and characterize damage in structural and mechanical systems by examining changes in measured vibration response. Research in vibration-based damage recognition has been rapidly expanding over the last few years. The basic idea behind this technology is that modal parameters (notably frequencies, mode shapes, and modal damping) are functions of the physical properties of the structure (mass, damping, and stiffness). Therefore, changes in the physical properties will cause detectable changes in the modal properties. In investigations, many techniques were applied to recognize damage in structural and mechanical systems, b…
Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.
2003
A topological virtual screening (tvs) test is presented, which is capable of identifying new drug leaders with anticonvulsant activity. Molecular structures of both anticonvulsant-active and non active compounds, extracted from the Merck Index database, were represented using topological indexes. By means of the application of a linear discriminant analysis to both sets of structures, a topological anticonvulsant model (tam) was obtained, which defines a connectivity function. On the basis of this model, 41 new structures with anticonvulsant activity have been identified by a topological virtual screening.
Application of molecular topology to the prediction of inhibition of Trypanosoma cruzi Hexokinase by bisphosphonates
2008
Se ha desarrollado un modelo topológico-matemático para la búsqueda de nuevos derivados bisfosfonatos activos frente a la hexokinasa de Trypanosoma cruzi. Utilizando el análisis lineal discriminante se ha seleccionado una función con cuatro variables capaz de predecir adecuadamente la CI50 para cada compuesto de las series de entrenamiento y test. El modelo propuesto se ha aplicado a una librería molecular y se han propuesto nuevas estructuras potencialmente activas frente a T. cruzi.