Search results for "data set"
showing 10 items of 154 documents
An approach to using conventional brachytherapy software for clinical treatment planning of complex, Monte Carlo-based brachytherapy dose distributio…
2009
Certain brachytherapy dose distributions, such as those for LDR prostate implants, are readily modeled by treatment planning systems (TPS) that use the superposition principle of individual seed dose distributions to calculate the total dose distribution. However, dose distributions for brachytherapy treatments using high-Z shields or having significant material heterogeneities are not currently well modeled using conventional TPS. The purpose of this study is to establish a new treatment planning technique (Tufts technique) that could be applied in some clinical situations where the conventional approach is not acceptable and dose distributions present cylindrical symmetry. Dose distributi…
Gridding artifacts on medium-resolution satellite image time series: MERIS case study
2011
Earth observation satellites provide a valuable source of data which when conveniently processed can be used to better understand the Earth system dynamics. In this regard, one of the prerequisites for the analysis of satellite image time series is that the images are spatially coregistered so that the resulting multitemporal pixel entities offer a true temporal view of the area under study. This implies that all the observations must be mapped to a common system of grid cells. This process is known as gridding and, in practice, two common grids can be used as a reference: 1) a grid defined by some kind of external data set (e.g., an existing land-cover map) or 2) a grid defined by one of t…
Pointwise resolutive significance of data and applications in experimental design and data treatment
1992
Abstract The concept of the resolutive significance of a point in a data set with regard to a number of addressed parameters is introduced, and two algorithms able to measure it are proposed. The algorithms are validated using simulated experiments. The sum of all the pointwise resolutive significances of a data set is also proposed as a measure of the resolution of the data set. This sum correlates well with the reciprocal of the standard deviation of the fitted parameters, indicating the precision that can be expected for each parameters. Applications in experimental design, and a method for establishing the weights in the least-quarters regression analysis are discussed.
Enhanced transport-related air pollution prediction through a novel metamodel approach
2017
Abstract This research proposes a novel approach to improve the ability to forecast low frequency extreme events of transport-related pollution in urban areas using a limited input data set. The approach is based on the idea of a self-managing model, able to adapt to unexpected changes in pollution level. In more detail, for a given combination of variables, it selects the most suitable prediction model within a set of alternative air quality models, estimated for a wider range of locations and conditions. In this study, the new approach is tested for the prediction of nitrogen dioxide concentration in the United Kingdom (UK), specifically in an air quality monitoring site of the Greater Ma…
Long-term phenological data set of multi-taxonomic groups, agrarian activities, and abiotic parameters from Latvia, northern Europe
2021
A phenological data set collected by citizen-scientists from 1970 to 2018 in Latvia is presented, comprising almost 47,000 individual observations of eight taxonomical groups, in addition to agrarian activities and abiotic parameters, covering in total 159 different phenological phases. These original data published offline in annual issues of the Nature and History Calendar (in Latvian, Dabas un vēstures kalendārs) have been digitized, harmonized and geo-referenced. Overall, the possible use of such data is extensive, as phenological data are excellent bioindicators for characterising climate change and can be used for the elaboration of adaptation strategies in agriculture, forestry, and …
Detection of batch effects in liquid chromatography-mass spectrometry metabolomic data using guided principal component analysis.
2014
Metabolomics based on liquid chromatography-mass spectrometry (LC-MS) is a powerful tool for studying dynamic responses of biological systems to different physiological or pathological conditions. Differences in the instrumental response within and between batches introduce unwanted and uncontrolled data variation that should be removed to extract useful information. This work exploits a recently developed method for the identification of batch effects in high throughput genomic data based on the calculation of a delta statistic through principal component analysis (PCA) and guided PCA. Its applicability to LC-MS metabolomic data was tested on two real examples. The first example involved t…
Atom-based 3D-chiral quadratic indices. Part 2: prediction of the corticosteroid-binding globulinbinding affinity of the 31 benchmark steroids data s…
2005
A quantitative structure-activity relationship (QSAR) study to predict the relative affinities of the steroid 'benchmark' data set to the corticosteroid-binding globulin (CBG) is described. It is shown that the 3D-chiral quadratic indices closely correlate with the measured CBG affinity values for the 31 steroids. The calculated descriptors were correlated with biological data through multiple linear regressions. Two statistically significant models were obtained when non-stochastic (R = 0.924 and s = 0.46) as well as stochastic (R = 0.929 and s = 0.46) 3D-chiral quadratic indices were used. A leave-one-out (LOO) approach to model validation is used here; the best results obtained in the cr…
A topological substructural approach for the prediction of P-glycoprotein substrates
2006
A topological substructural molecular design approach (TOPS-MODE) has been used to predict whether a given compound is a P-glycoprotein (P-gp) substrate or not. A linear discriminant model was developed to classify a data set of 163 compounds as substrates or nonsubstrates (91 substrates and 72 nonsubstrates). The final model fit the data with sensitivity of 82.42% and specificity of 79.17%, for a final accuracy of 80.98%. The model was validated through the use of an external validation set (40 compounds, 22 substrates and 18 nonsubstrates) with a 77.50% of prediction accuracy; fivefold full cross-validation (removing 40 compounds in each cycle, 80.50% of good prediction) and the predictio…
Applications of Bond-Based 3D-Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification
2009
The concept of bond-based quadratic indices is generalized to codify chemical structure information for chiral drugs, making use of a trigonometric 3D-chirality correction factor. In order to evaluate the effectiveness of this novel approach in drug design, we have modeled several well-known data sets. In particularly, Cramer's steroid data set has become a benchmark for the assessment of novel QSAR methods. This data set has been used by several researchers using 3D-QSAR approaches. Therefore, it is selected by us for the shake of comparability. In addition, to evaluate the effectiveness of this novel approach in drug design, we model the angiotensin-converting enzyme inhibitory activity o…
Centroid-based Cluster Analysis of HVSR Data for Seismic Microzonation
2014
Horizontal to Vertical Spectral Ratio (HVSR) datasets acquired for studies of seismic microzoning in various urban centers of Sicilian towns, have been used to test clustering analysis through a nonhierarchical centroid-based algorithm. In this context clustering techniques may be useful to identify areas with similar seismic behaviour through HVSR data. Centroid-based algorithms generally require the number of clusters, k, and the initial centroid coordinates to be specified in advance. This aspect is considered to be one of the biggest drawbacks of these algorithms. The proposed algorithm doesn’t limit the number of k clusters and choose the initial centroids automatically from the data s…