Search results for " linear discriminant analysis"
showing 7 items of 7 documents
Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays
2022
A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descriptors. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets. It was also useful to select new potential antituberculosis compounds in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-a]pyrimidines was particularly interesting because these structures could provide new scaffolds in this field. T…
Penalized linear discriminant analysis and Discrete AdaBoost to distinguish human hair metal profiles: The case of adolescents residing near Mt. Etna
2016
The research focus of the present paper was twofold. First, we tried to document that human intake of trace elements is influenced by geological factors of the place of residence. Second, we showed that the elemental composition of human hair is a useful screening tool for assessing people's exposure to potentially toxic substances. For this purpose, we used samples of human hair from adolescents and applied two robust statistical approaches. Samples from two distinct geological and environmental sites were collected: the first one was characterized by the presence of the active volcano Mt. Etna (ETNA group) and the second one lithologically made up of sedimentary rocks (SIC group). Chemica…
Decoding Emotional Valence from Electroencephalographic Rhythmic Activity
2017
We attempt to decode emotional valence from electroencephalographic rhythmic activity in a naturalistic setting. We employ a data-driven method developed in a previous study, Spectral Linear Discriminant Analysis, to discover the relationships between the classification task and independent neuronal sources, optimally utilizing multiple frequency bands. A detailed investigation of the classifier provides insight into the neuronal sources related with emotional valence, and the individual differences of the subjects in processing emotions. Our findings show: (1) sources whose locations are similar across subjects are consistently involved in emotional responses, with the involvement of parie…
Modeling Natural Anti-Inflammatory Compounds by Molecular Topology
2011
One of the main pharmacological problems today in the treatment of chronic inflammation diseases consists of the fact that anti-inflammatory drugs usually exhibit side effects. The natural products offer a great hope in the identification of bioactive lead compounds and their development into drugs for treating inflammatory diseases. Computer-aided drug design has proved to be a very useful tool for discovering new drugs and, specifically, Molecular Topology has become a good technique for such a goal. A topological-mathematical model, obtained by linear discriminant analysis, has been developed for the search of new anti-inflammatory natural compounds. An external validation obtained with …
Instrumental Odour Monitoring System Classification Performance Optimization by Analysis of Different Pattern-Recognition and Feature Extraction Tech…
2020
Instrumental odour monitoring systems (IOMS) are intelligent electronic sensing tools for which the primary application is the generation of odour metrics that are indicators of odour as perceived by human observers. The quality of the odour sensor signal, the mathematical treatment of the acquired data, and the validation of the correlation of the odour metric are key topics to control in order to ensure a robust and reliable measurement. The research presents and discusses the use of different pattern recognition and feature extraction techniques in the elaboration and effectiveness of the odour classification monitoring model (OCMM). The effect of the rise, intermediate, and peak period …
Characterization of Sicilian Olive Genotypes by Multivariate Analysis of Leaf and Fruit Chemical and Morphological Properties
2013
Leaf and fruit size and shape were measured and mannitol, glucose, sucrose and malic acid were quantified in leaf, bark and fruit of 25 Sicilian olive genotypes. Multivariate analysis was used to individuate groups with similar chemical composition and morphological traits suggesting potential for stress tolerance and/or oil yield and quality. Mannitol content varied greatly among genotypes and was the most abundant carbohydrate in leaf and bark, whereas glucose was the most abundant in fruit. Sucrose and malic acid were generally low indicating a marginal role in olive tissues. Mannitol and glucose were directly related in both leaf and fruit tissues. Genotypes also differed for carbohydra…