Search results for "Data mining"
showing 10 items of 907 documents
Pharmacophore Models Derived from Molecular Dynamics Simulations of Protein-Ligand Complexes: A Case Study
2018
A single, merged pharmacophore hypothesis is derived combining 2000 pharmacophore models obtained during a 20 ns molecular dynamics simulation of a protein-ligand complex with one pharmacophore model derived from the initial PDB structure. This merged pharmacophore model contains all features that are present during the simulation and statistical information about the dynamics of the pharmacophore features. Based on the dynamics of the pharmacophore features we derive two distinctive feature patterns resulting in two different pharmacophore models for the analyzed system – the first model consists of features that are obtained from the PDB structure and the second uses two features that ca…
State of the Art Review and Report of New Tool for Drug Discovery
2017
BACKGROUND There are a great number of tools that can be used in QSAR/QSPR studies; they are implemented in several programs that are reviewed in this report. The usefulness of new tools can be proved through comparison, with previously published approaches. In order to perform the comparison, the most usual is the use of several benchmark datasets such as DRAGON and Sutherland's datasets. METHODS Here, an exploratory study of Atomic Weighted Vectors (AWVs), a new tool useful for drug discovery using different datasets, is presented. In order to evaluate the performance of the new tool, several statistics and QSAR/QSPR experiments are performed. Variability analyses are used to quantify the…
Quality assessment of protein NMR structures.
2013
Biomolecular NMR structures are now routinely used in biology, chemistry, and bioinformatics. Methods and metrics for assessing the accuracy and precision of protein NMR structures are beginning to be standardized across the biological NMR community. These include both knowledge-based assessment metrics, parameterized from the database of protein structures, and model versus data assessment metrics. On line servers are available that provide comprehensive protein structure quality assessment reports, and efforts are in progress by the world-wide Protein Data Bank (wwPDB) to develop a biomolecular NMR structure quality assessment pipeline as part of the structure deposition process. These qu…
Distributed evolutionary approach to data clustering and modeling
2014
In this article we describe a framework (DEGA-Gen) for the application of distributed genetic algorithms for detection of communities in networks. The framework proposes efficient ways of encoding the network in the chromosomes, greatly optimizing the memory use and computations, resulting in a scalable framework. Different objective functions may be used for producing division of network into communities. The framework is implemented using open source implementation of MapReduce paradigm, Hadoop. We validate the framework by developing community detection algorithm, which uses modularity as measure of the division. Result of the algorithm is the network, partitioned into non-overlapping co…
Enhanced query processing for NoSQL crowdsourcing systems
2014
In this paper, we provide a novel approach for effectively and efficiently support query processing tasks in novel NoSQL crowdsourcing systems. The idea of our method is to exploit the social knowledge available from reviews about products of any kind, freely provided by customers through specialized web sites. We thus define a NoSQL database system for large collections of product reviews, where queries can be expressed in terms of natural language sentences whose answers are modeled as lists of products ranked based on the relevance of reviews w.r.t. the natural language sentences. The best ranked products in the result list can be seen as the best hints for the user based on crowd opinio…
Cinema Data Mining
2015
While the physiological response of humans to emotional events or stimuli is well-investigated for many modalities (like EEG, skin resistance, ...), surprisingly little is known about the exhalation of so-called Volatile Organic Compounds (VOCs) at quite low concentrations in response to such stimuli. VOCs are molecules of relatively small mass that quickly evaporate or sublimate and can be detected in the air that surrounds us. The paper introduces a new field of application for data mining, where trace gas responses of people reacting on-line to films shown in cinemas (or movie theaters) are related to the semantic content of the films themselves. To do so, we measured the VOCs from a mov…
Multiple-attribute decision support system based on fuzzy logic for performance assessment
2005
Abstract This paper deals with the problem of assessing the performance of a set of production units, simultaneously considering different kinds of information, yielded by a Data Envelopment Analysis, a qualitative data analysis and an expert assessment. The tool for integrating heterogeneous data is a model that applies fuzzy logic to decision support systems. The results obtained are a holistic performance assessment of each unit of the set and a ranking order of the units.
A comprehensive survey of multi-view video summarization
2021
[EN] There has been an exponential growth in the amount of visual data on a daily basis acquired from single or multi-view surveillance camera networks. This massive amount of data requires efficient mechanisms such as video summarization to ensure that only significant data are reported and the redundancy is reduced. Multi-view video summarization (MVS) is a less redundant and more concise way of providing information from the video content of all the cameras in the form of either keyframes or video segments. This paper presents an overview of the existing strategies proposed for MVS, including their advantages and drawbacks. Our survey covers the genericsteps in MVS, such as the pre-proce…
Une nouvelle approche mixte d'enrichissement de dimensions dans un schéma multidimensionnel en constellation Application à la biodiversité des oiseaux
2015
International audience; Les entrepôts de données (DW) et les systèmes OLAP sont des technologies d'analyse en ligne pour de grands volumes de données, basés sur les be-soins des utilisateurs. Leur succès dépend essentiellement de la phase de conception où les exigences fonctionnelles sont confrontées aux sources de données (méthodologie de conception mixte). Cependant, les méthodes de conception existantes semblent parfois inefficaces, lorsque les décideurs définissent des exi-gences fonctionnelles qui ne peuvent être déduites à partir des sources de don-nées (approche centrée sur les données), ou lorsque le décideur n'a pas intégré tous ces besoins durant la phase de conception (approche c…
Dimension enrichment with factual data during the design of multidimensional models: application to bird biodiversity
2015
20 pages; International audience; Data warehouses (DW) and OLAP systems are technologies allowing the on-line analysis of huge volume of data according to decision-makers’ needs. Designing DW involves taking into account functional requirements and data sources (mixed design methodology) [1]. But, for complex applications, existing automatic design methodologies seem inefficient. In some cases, decision-makers need querying, as a dimension, data which have been defined as facts by actual automatic mixed approachs. Therefore, in this paper, we offer a new mixed refinement methodology relevant to constellation multidimensional schema. The proposed methodolgy allows to decision-makers to enric…