Search results for "Algorithms"
showing 10 items of 1716 documents
Classification of flavonoid compounds by using entropy of information theory
2013
A total of 74 flavonoid compounds are classified into a periodic table by using an algorithm based on the entropy of information theory. Seven features in hierarchical order are used to classify structurally the flavonoids. From these features, the first three mark the group or column, while the last four are used to indicate the row or period in a table of periodic classification. Those flavonoids in the same group and period are suggested to show maximum similarity in properties. Furthermore, those with only the same group will present moderate similarity. In this report, the flavonoid compounds in the table, whose experimental data in bioactivity and antioxidant properties have been prev…
Do dynamic effects play a significant role in enzymatic catalysis? A theoretical analysis of formate dehydrogenase.
2010
A theoretical study of the protein dynamic effects on the hydride transfer between the formate anion and nicotinamide adenine dinucleotide (NAD + ), catalyzed by formate dehydrogenase (FDH), is presented in this paper. The analysis of free downhill molecular dynamic trajectories, performed in the enzyme and compared with the reaction in aqueous solution, has allowed the study of the dynamic coupling between the reacting fragments and the protein or the solvent water molecules, as well as an estimation of the dynamic effect contribution to the catalytic effect from calculation of the transmission coefficient in the enzyme and in solution. The obtained transmission coefficients for the enzyme…
Joziknipholones A and B: The First Dimeric Phenylanthraquinones, from the Roots ofBulbine frutescens
2007
From the roots of the African plant Bulbine frutescens (Asphodelaceae), two unprecedented novel dimeric phenylanthraquinones, named joziknipholones A and B, possessing axial and centrochirality, were isolated, together with six known compounds. Structural elucidation of the new metabolites was achieved by spectroscopic and chiroptical methods, by reductive cleavage of the central bond between the monomeric phenylanthraquinone and -anthrone portions with sodium dithionite, and by quantum chemical CD calculations. Based on the recently revised absolute axial configuration of the parent phenylanthraquinones, knipholone and knipholone anthrone, the new dimers were attributed to possess the P-co…
Stochastic algorithms for robust statistics in high dimension
2016
This thesis focus on stochastic algorithms in high dimension as well as their application in robust statistics. In what follows, the expression high dimension may be used when the the size of the studied sample is large or when the variables we consider take values in high dimensional spaces (not necessarily finite). In order to analyze these kind of data, it can be interesting to consider algorithms which are fast, which do not need to store all the data, and which allow to update easily the estimates. In large sample of high dimensional data, outliers detection is often complicated. Nevertheless, these outliers, even if they are not many, can strongly disturb simple indicators like the me…
A Differential Evolution Framework with Ensemble of Parameters and Strategies and Pool of Local Search Algorithms
2014
The file attached to this record is the author's final peer reviewed version. The publisher's final version can be found by following the DOI link. The ensemble structure is a computational intelligence supervised strategy consisting of a pool of multiple operators that compete among each other for being selected, and an adaptation mechanism that tends to reward the most successful operators. In this paper we extend the idea of the ensemble to multiple local search logics. In a memetic fashion, the search structure of an ensemble framework cooperatively/competitively optimizes the problem jointly with a pool of diverse local search algorithms. In this way, the algorithm progressively adapts…
To Hit or Not to Hit, That Is the Question - Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa Proteins.
2015
Pseudomonas aeruginosa is a Gram-negative bacterium known to cause opportunistic infections in immune-compromised or immunosuppressed individuals that often prove fatal. New drugs to combat this organism are therefore sought after. To this end, we subjected the gene products of predicted perturbative genes to structure-based druggability predictions using DrugPred. Making this approach suitable for large-scale predictions required the introduction of new methods for calculation of descriptors, development of a workflow to identify suitable pockets in homologous proteins and establishment of criteria to obtain valid druggability predictions based on homologs. We were able to identify 29 pert…
Internet of Things with Deep Learning-Based Face Recognition Approach for Authentication in Control Medical Systems
2022
Internet of Things (IoT) with deep learning (DL) is drastically growing and plays a significant role in many applications, including medical and healthcare systems. It can help users in this field get an advantage in terms of enhanced touchless authentication, especially in spreading infectious diseases like coronavirus disease 2019 (COVID-19). Even though there is a number of available security systems, they suffer from one or more of issues, such as identity fraud, loss of keys and passwords, or spreading diseases through touch authentication tools. To overcome these issues, IoT-based intelligent control medical authentication systems using DL models are proposed to enhance the security f…
Effectively Predicting the Presence of Coronary Heart Disease Using Machine Learning Classifiers
2022
Coronary heart disease is one of the major causes of deaths around the globe. Predicating a heart disease is one of the most challenging tasks in the field of clinical data analysis. Machine learning (ML) is useful in diagnostic assistance in terms of decision making and prediction on the basis of the data produced by healthcare sector globally. We have also perceived ML techniques employed in the medical field of disease prediction. In this regard, numerous research studies have been shown on heart disease prediction using an ML classifier. In this paper, we used eleven ML classifiers to identify key features, which improved the predictability of heart disease. To introduce the prediction …
Machine learning for a combined electroencephalographic anesthesia index to detect awareness under anesthesia
2020
Spontaneous electroencephalogram (EEG) and auditory evoked potentials (AEP) have been suggested to monitor the level of consciousness during anesthesia. As both signals reflect different neuronal pathways, a combination of parameters from both signals may provide broader information about the brain status during anesthesia. Appropriate parameter selection and combination to a single index is crucial to take advantage of this potential. The field of machine learning offers algorithms for both parameter selection and combination. In this study, several established machine learning approaches including a method for the selection of suitable signal parameters and classification algorithms are a…
Mixed Fault Classification of Sensorless PMSM Drive in Dynamic Operations Based on External Stray Flux Sensors
2022
This paper aims to classify local demagnetisation and inter-turn short-circuit (ITSC) on position sensorless permanent magnet synchronous motors (PMSM) in transient states based on external stray flux and learning classifier. Within the framework, four supervised machine learning tools were tested: ensemble decision tree (EDT), k-nearest neighbours (KNN), support vector machine (SVM), and feedforward neural network (FNN). All algorithms are trained on datasets from one operational profile but tested on other different operation profiles. Their input features or spectrograms are computed from resampled time-series data based on the estimated position of the rotor from one stray flux sensor t…