Search results for "Discriminant"

Dry selection and wet evaluation for the rational discovery of new anthelmintics

2017

Helminths infections remain a major problem in medical and public health. In this report, atom-based 2D bilinear indices, a TOMOCOMD-CARDD (QuBiLs-MAS module) molecular descriptor family and linear discriminant analysis (LDA) were used to find models that differentiate among anthelmintic and non-anthelmintic compounds. Two classification models obtained by using non-stochastic and stochastic 2D bilinear indices, classified correctly 86.64% and 84.66%, respectively, in the training set. Equation 1(2) correctly classified 141(135) out of 165 [85.45%(81.82%)] compounds in external validation set. Another LDA models were performed in order to get the most likely mechanism of action of anthelmin…

Mass Spectrometry Imaging Differentiates Chromophobe Renal Cell Carcinoma and Renal Oncocytoma with High Accuracy

2020

Background: While subtyping of the majority of malignant chromophobe renal cell carcinoma (cRCC) and benign renal oncocytoma (rO) is possible on morphology alone, additional histochemical, immunohistochemical or molecular investigations are required in a subset of cases. As currently used histochemical and immunohistological stains as well as genetic aberrations show considerable overlap in both tumors, additional techniques are required for differential diagnostics. Mass spectrometry imaging (MSI) combining the detection of multiple peptides with information about their localization in tissue may be a suitable technology to overcome this diagnostic challenge. Patients and Methods: Formalin…

2020

Background Small sample sizes combined with multiple correlated endpoints pose a major challenge in the statistical analysis of preclinical neurotrauma studies. The standard approach of applying univariate tests on individual response variables has the advantage of simplicity of interpretation, but it fails to account for the covariance/correlation in the data. In contrast, multivariate statistical techniques might more adequately capture the multi-dimensional pathophysiological pattern of neurotrauma and therefore provide increased sensitivity to detect treatment effects. Results We systematically evaluated the performance of univariate ANOVA, Welch’s ANOVA and linear mixed effects models …

Search of Chemical Scaffolds for Novel Antituberculosis Agents

2005

3 A method to identify chemical scaffolds potentially active against Mycobacterium tuberculosis is presented. The molecular features of a set of structurally heterogeneous antituberculosis drugs were coded by means of structural invariants. Three tech- niques were used to obtain equations able to model the antituberculosis activity: linear discriminant analysis, multilinear re- gression, and shrinkage estimation-ridge regression. The model obtained was statistically validated through leave-n-out test, and an external set and was applied to a database for the search of new active agents. The selected compounds were assayed in vitro, and among those identified as active stand reserpine, N,N,N…

A matching task as a potential technique for descriptive profile validation

2003

If panellists can successfully match products to the corresponding descriptive profiles, then the profiles can be regarded as product-relevant and valid. This work examined the ability of a trained panel to perform a matching task between products and their descriptive profiles. A 13-member panel, trained to assess eight cheeses in terms of 19 flavour attributes, performed the task based on their individually developed profiles. The panel's ability to match products to profiles was well above that expected by chance, and chi-square statistics for each of the products were significant (P<0.05). A correspondence analysis based on the group results indicated that all the products were relative…

Dimensions of Anxiety, Age, and Gender: Assessing Dimensionality and Measurement Invariance of the State-Trait for Cognitive and Somatic Anxiety (STI…

2018

The State-Trait Inventory for Cognitive and Somatic Anxiety (STICSA) is a widely used measure of state and trait anxiety that permits a specific assessment of cognitive and somatic anxiety. Previous research provided inconsistent findings about its factor structure in non-clinical samples (e.g., hierarchical or bi-factor structure). To date, no psychometric validation of the Italian version of the STICSA has been conducted. Our study aimed to determine the psychometric functioning of the Italian version of the STICSA, including its dimensionality, gender and age measurement equivalence, and convergent/divergent validity in a large sample of community-dwelling participants (N = 2,938; 55.9% …

Compassion-based meditation quality practice and its impact on the positive attitudes toward others

2021

Objectives: The authors report on the initial development and validation of the Compassion Practice Quality Scale (CPQS), a measure to assess the quality of compassion-based meditation (CBM). It is conceptualized and operationalized via two factors measuring mental imagery and somatic perception/response. Methods: The total sample was composed of 205 university students who underwent a CBM and completed pre-test/post-test assessment of compassion and related constructs. Results from a series of preliminary psychometric analyses of the CPQS were examined, including factor analysis, internal consistency, and convergent/discriminant validity. Results: The data supported a 12-item and 10-item (…

2021

Background: The Self-Regulation of Eating Behavior Questionnaire (SREBQ) is an economical way of assessing an individual's self-regulatory abilities regarding eating behavior. Such scales are needed in the German population; therefore, the purpose of the present study was the translation and validation of a German version of the SREBQ.Method: First, we conducted a pilot study (Study 1; N = 371) after the translation procedure. Second, we assessed the final scale in a representative sample of the German population (Sample 2; N = 2,483) and its underlying factor structure. Further, we tested for measurement invariance and evaluated the SREBQ's associations with related scales to explore conve…

Scenario-based discrimination of common grapevine varieties using in-field hyperspectral data in the western of Iran

2019

Abstract Field spectroscopy is an accurate, rapid and nondestructive technique for monitoring of agricultural plant characteristics. Among these, identification of grapevine varieties is one of the most important factors in viticulture and wine industry. This study evaluated the discriminatory ability of field hyperspectral data and statistical techniques in case of five common grapevine varieties in the western of Iran. A total of 3000 spectral samples were acquired at leaf and canopy levels. Then, in order to identify the best approach, two types of hyperspectral data (wavelengths from 350 to 2500 nm and 32 spectral indices), two data reduction methods (PLSR and ANOVA-PCA) and two classif…

Estimation of ADME Properties in Drug Discovery: Predicting Caco-2 Cell Permeability Using Atom-Based Stochastic and Non-stochastic Linear Indices

2007

The in vitro determination of the permeability through cultured Caco-2 cells is the most often-used in vitro model for drug absorption. In this report, we use the largest data set of measured P(Caco-2), consisting of 157 structurally diverse compounds. Linear discriminant analysis (LDA) was used to obtain quantitative models that discriminate higher absorption compounds from those with moderate-poorer absorption. The best LDA model has an accuracy of 90.58% and 84.21% for training and test set. The percentage of good correlation, in the virtual screening of 241 drugs with the reported values of the percentage of human intestinal absorption (HIA), was greater than 81%. In addition, multiple …