Search results for "Linear discriminant analysi"
showing 10 items of 164 documents
Sparse Manifold Clustering and Embedding to discriminate gene expression profiles of glioblastoma and meningioma tumors.
2013
Sparse Manifold Clustering and Embedding (SMCE) algorithm has been recently proposed for simultaneous clustering and dimensionality reduction of data on nonlinear manifolds using sparse representation techniques. In this work, SMCE algorithm is applied to the differential discrimination of Glioblastoma and Meningioma Tumors by means of their Gene Expression Profiles. Our purpose was to evaluate the robustness of this nonlinear manifold to classify gene expression profiles, characterized by the high-dimensionality of their representations and the low discrimination power of most of the genes. For this objective, we used SMCE to reduce the dimensionality of a preprocessed dataset of 35 single…
The Application of Machine Learning Algorithms to the Analysis of Electromyographic Patterns From Arthritic Patients
2009
The main aim of our study was to investigate the possibility of applying machine learning techniques to the analysis of electromyographic patterns (EMG) collected from arthritic patients during gait. The EMG recordings were collected from the lower limbs of patients with arthritis and compared with those of healthy subjects (CO) with no musculoskeletal disorder. The study involved subjects suffering from two forms of arthritis, viz, rheumatoid arthritis (RA) and hip osteoarthritis (OA). The analysis of the data was plagued by two problems which frequently render the analysis of this type of data extremely difficult. One was the small number of human subjects that could be included in the in…
Sexing adult Cory's Shearwater by discriminant analysis of body measurements on Linosa Island (Sicilian Channel), Italy
2001
-Males and females of many avian species may show no plumage dimorphism, but often can be sexed by differences in body measurements. Sex determination of many Cory's Shearwaters Calonectris diomedea, was possible by multiplying bill length by bill depth. In this study, discriminant analysis of six measurements (bill length, bill depth, wing, tail, tarsus and mass) was performed on Cory's Shearwaters breeding on Linosa Island (Sicilian Channel), Italy and the efficiency of sex determination was compared with the univariate method. Results show the advantages of the discriminant functions. Bill depth is the best parameter (up to 92% correct classification), followed by mass (84% correct class…
Accurate classification of childhood brain tumours by in vivo H-1 MRS - A multi-centre study
2013
Aims: To evaluate the accuracy of single-voxel Magnetic Resonance Spectroscopy (1H-MRS) as a non-invasive diagnostic aid for pediatric brain tumours in a multi-national study. Our hypotheses are (1) that automated classification based on 1H-MRS provides an accurate non-invasive diagnosis in multi-centre datasets and (2) using a protocol which increases the metabolite information improves the diagnostic accuracy. Methods: 78 patients under 16 years old with histologically proven brain tumours from 10 international centres were investigated. Discrimination of 29 medulloblastomas, 11 ependymomas and 38 pilocytic astrocytomas was evaluated. Single-voxel MRS was undertaken prior to diagnosis (1.…
Classification of extra virgin olive oils according to their geographical origin using phenolic compound profiles obtained by capillary electrochroma…
2009
Abstract A simple and reliable method for the evaluation of the phenolic fraction of extra virgin olive oils (EVOO) by capillary electrochromatography (CEC) with UV–Vis detection, using lauryl acrylate (LA) ester-based monolithic columns, has been developed. The percentages of the porogenic solvents in the polymerization mixture, and the mobile phase composition, were optimized. The optimum monolith was obtained with a monomers/porogens ratio of 40:60% (wt/wt) using a LA/1,3-butanediol diacrylate ratio of 70:30% (wt/wt) and a 1,4-butanediol/1-propanol ratio of 25:75% (wt/wt). A satisfactory resolution between the phenolic compounds was achieved in less than 25 min with a 15:85 (v/v) ACN–wat…
In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS–MODE approach
2004
The central nervous system (CNS) activity has been investigated by using a topological substructural molecular approach (TOPS-MODE). A discriminant analysis to classify CNS and non-CNS drugs was developed on a data set (302 compounds) of great structural variability where more than 81% (247/302) were well classified. Randic's orthogonalization procedures was carried out to allow the interpretation of the model and to avoid the collinearity among descriptors. The discriminant model was assessed by a leave-n-out (when n varies from 2 to 20) cross-validation procedure (79.94% of correct classification), an external prediction set composed by 78 CNS/non-CNS drugs (80.77% of correct classificati…
Application of molecular topology in the prediction of new compounds with anti-trypanosomal cytotoxic activity
2021
La enfermedad de Chagas es una antropozoonosis parasitaria de transmisión mayoritariamente vectorial. Si bien afecta principalmente a América, constituye una de las mayores enfermedades desatendidas a nivel mundial. Solamente dos fármacos con un alto grado de toxicidad se encuentran disponibles para su tratamiento, por lo que es preciso aunar esfuerzos en pos del desarrollo de nuevas drogas antitripanosomales eficaces y con escasos efectos adversos. En este estudio, se aplicó la topología molecular para el desarrollo de un modelo QSAR capaz de predecir la actividad citotóxica antitripanosomal de un grupo de 39 compuestos. El modelo desarrollado mediante análisis lineal discriminante permiti…
Getting discriminant functions of antibacterial activity from physicochemical and topological parameters.
2001
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
ChemInform Abstract: Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters.
2010
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
Classification of extra virgin olive oils according to their genetic variety using linear discriminant analysis of sterol profiles established by ult…
2011
Abstract A method to classify extra virgin olive oils (EVOOs) according to their genetic variety using sterol profiles obtained by ultra-performance liquid chromatography (UPLC) with atmospheric pressure chemical ionization mass spectrometry (APCI-MS) detection has been developed. The optimal separation conditions were obtained using a gradient acetonitrile/water (0.01% acetic acid) at a flow rate of 0.8 mL min − 1 and 10 °C. Linear discriminant analysis (LDA) models were constructed with the 11 UPLC-APCI-MS sterol peaks taken from the selective ion recording mode chromatograms. Ratios of the peak areas selected by pairs were used as predictors. With the sequential application of two LDA mo…