Clonal Analysis of the Neonatal Mouse Heart using Nearest Neighbor Modeling.
Ontology highlight
ABSTRACT:
SUBMITTER: Bakovic M
PROVIDER: S-EPMC7594646 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The linear "Ising" model, which has been around for nearly a century, treats the behavior of linear arrays of repetitive, interacting subunits. Linear "repeat-proteins" have only been described in the last decade or so, and their folding energies have only been characterized very recently. Owing to their repetitive structures, linear repeat-proteins are particularly well suited for analysis by the nearest-neighbor Ising formalism. After briefly describing the historical origins and applications of the Ising model to biopolymers, and introducing repeat protein structure, this chapter will focus on the application of the linear Ising model to repeat proteins. When applied to homopolymers, the model can be represented and applied in a fairly simplified form. When applied to heteropolymers, where differences in energies among individual subunits (i.e. repeats) must be included, some (but not all) of this simplicity is lost. Derivations of the linear Ising model for both homopolymer and heteropolymer repeat-proteins will be presented. With the increased complexity required for analysis of heteropolymeric repeat proteins, the ability to resolve different energy terms from experimental data can be compromised. Thus, a simple matrix approach will be developed to help inform on the degree to which different thermodynamic parameters can be extracted from a particular set of unfolding curves. Finally, we will describe the application of these models to analyze repeat-protein folding equilibria, focusing on simplified repeat proteins based on "consensus" sequence information.
| S-EPMC2967780 | biostudies-literature
Project description:In this data study, assessment of daily rainfall nearest neighbor?s patterns (DRBBP) was described in Iran. This article presents some spatial patterns of daily rainfall nearest neighbor?s patterns for Iran from 170 stations and 31195 rainfall points by comparing ordinary kriging techniques based on the forecast models. For the nearest neighbor?s patterns of the daily rainfall, rainfall data series of 1975-2014 was employed to estimate the point data of daily rainfall. The statistical properties were analyzed to indicate an increase in dispersed variability patterns of daily rainfall in Iran. Dispersed patterns were selected as the best nearest neighbor?s models to model daily rainfall variability. The data results will help climatologists and hydrologists in model assessment and planning of natural environment in Iran.
| S-EPMC6141148 | biostudies-literature
Project description:RationaleAdvanced algorithmic solutions are necessary to process the ever-increasing amounts of mass spectrometry data that are being generated. In this study, we describe the falcon spectrum clustering tool for efficient clustering of millions of MS/MS spectra.Methodsfalcon succeeds in efficiently clustering large amounts of mass spectral data using advanced techniques for fast spectrum similarity searching. First, high-resolution spectra are binned and converted to low-dimensional vectors using feature hashing. Next, the spectrum vectors are used to construct nearest neighbor indexes for fast similarity searching. The nearest neighbor indexes are used to efficiently compute a sparse pairwise distance matrix without having to exhaustively perform all pairwise spectrum comparisons within the relevant precursor mass tolerance. Finally, density-based clustering is performed to group similar spectra into clusters.ResultsSeveral state-of-the-art spectrum clustering tools were evaluated using a large draft human proteome data set consisting of 25 million spectra, indicating that alternative tools produce clustering results with different characteristics. Notably, falcon generates larger highly pure clusters than alternative tools, leading to a larger reduction in data volume without the loss of relevant information for more efficient downstream processing.Conclusionsfalcon is a highly efficient spectrum clustering tool, which is publicly available as an open source under the permissive BSD license at https://github.com/bittremieux/falcon.
| S-EPMC8709870 | biostudies-literature
Project description:MotivationFolding during transcription can have an important influence on the structure and function of RNA molecules, as regions closer to the 5' end can fold into metastable structures before potentially stronger interactions with the 3' end become available. Thermodynamic RNA folding models are not suitable to predict structures that result from cotranscriptional folding, as they can only calculate properties of the equilibrium distribution. Other software packages that simulate the kinetic process of RNA folding during transcription exist, but they are mostly applicable for short sequences.ResultsWe present a new algorithm that tracks changes to the RNA secondary structure ensemble during transcription. At every transcription step, new representative local minima are identified, a neighborhood relation is defined and transition rates are estimated for kinetic simulations. After every simulation, a part of the ensemble is removed and the remainder is used to search for new representative structures. The presented algorithm is deterministic (up to numeric instabilities of simulations), fast (in comparison with existing methods), and it is capable of folding RNAs much longer than 200 nucleotides.Availability and implementationThis software is open-source and available at https://github.com/ViennaRNA/drtransformer.Supplementary informationSupplementary data are available at Bioinformatics online.
| S-EPMC9889959 | biostudies-literature
Project description:We consider two types of spatial symmetry, namely, symmetry in the mixed or shared nearest neighbor (NN) structures. We use Pielou's and Dixon's symmetry tests which are defined using contingency tables based on the NN relationships between the data points. We generalize these tests to multiple classes and demonstrate that both the asymptotic and exact versions of Pielou's first type of symmetry test are extremely conservative in rejecting symmetry in the mixed NN structure and hence should be avoided or only the Monte Carlo randomized version should be used. Under RL, we derive the asymptotic distribution for Dixon's symmetry test and also observe that the usual independence test seems to be appropriate for Pielou's second type of test. Moreover, we apply variants of Fisher's exact test on the shared NN contingency table for Pielou's second test and determine the most appropriate version for our setting. We also consider pairwise and one-versus-rest type tests in post hoc analysis after a significant overall symmetry test. We investigate the asymptotic properties of the tests, prove their consistency under appropriate null hypotheses, and investigate finite sample performance of them by extensive Monte Carlo simulations. The methods are illustrated on a real-life ecological data set.
| S-EPMC3926298 | biostudies-other
Project description: Not available
| S-EPMC10548812 | biostudies-literature
Project description:MotivationRegulatory, non-coding RNAs often function by forming a duplex with other RNAs. It is therefore of interest to predict putative RNA-RNA duplexes in silico on a genome-wide scale. Current computational methods for predicting these interactions range from fast complementary-based searches to those that take intramolecular binding into account. Together these methods constitute a trade-off between speed and accuracy, while leaving room for improvement within the context of genome-wide screens. A fast pre-filtering of putative duplexes would therefore be desirable.ResultsWe present RIsearch, an implementation of a simplified Turner energy model for fast computation of hybridization, which significantly reduces runtime while maintaining accuracy. Its time complexity for sequences of lengths m and n is with a much smaller pre-factor than other tools. We show that this energy model is an accurate approximation of the full energy model for near-complementary RNA-RNA duplexes. RIsearch uses a Smith-Waterman-like algorithm using a dinucleotide scoring matrix which approximates the Turner nearest-neighbor energies. We show in benchmarks that we achieve a speed improvement of at least 2.4× compared with RNAplex, the currently fastest method for searching near-complementary regions. RIsearch shows a prediction accuracy similar to RNAplex on two datasets of known bacterial short RNA (sRNA)-messenger RNA (mRNA) and eukaryotic microRNA (miRNA)-mRNA interactions. Using RIsearch as a pre-filter in genome-wide screens reduces the number of binding site candidates reported by miRNA target prediction programs, such as TargetScanS and miRanda, by up to 70%. Likewise, substantial filtering was performed on bacterial RNA-RNA interaction data.AvailabilityThe source code for RIsearch is available at: http://rth.dk/resources/risearch.
| S-EPMC3476332 | biostudies-literature
Project description:BackgroundMetagenomics, or the sequencing and analysis of collective genomes (metagenomes) of microorganisms isolated from an environment, promises direct access to the "unculturable majority". This emerging field offers the potential to lay solid basis on our understanding of the entire living world. However, the taxonomic classification is an essential task in the analysis of metagenomics data sets that it is still far from being solved. We present a novel strategy to predict the taxonomic origin of environmental genomic fragments. The proposed classifier combines the idea of the k-nearest neighbor with strategies from kernel-based learning.ResultsOur novel strategy was extensively evaluated using the leave-one-out cross validation strategy on fragments of variable length (800 bp - 50 Kbp) from 373 completely sequenced genomes. TACOA is able to classify genomic fragments of length 800 bp and 1 Kbp with high accuracy until rank class. For longer fragments > or = 3 Kbp accurate predictions are made at even deeper taxonomic ranks (order and genus). Remarkably, TACOA also produces reliable results when the taxonomic origin of a fragment is not represented in the reference set, thus classifying such fragments to its known broader taxonomic class or simply as "unknown". We compared the classification accuracy of TACOA with the latest intrinsic classifier PhyloPythia using 63 recently published complete genomes. For fragments of length 800 bp and 1 Kbp the overall accuracy of TACOA is higher than that obtained by PhyloPythia at all taxonomic ranks. For all fragment lengths, both methods achieved comparable high specificity results up to rank class and low false negative rates are also obtained.ConclusionAn accurate multi-class taxonomic classifier was developed for environmental genomic fragments. TACOA can predict with high reliability the taxonomic origin of genomic fragments as short as 800 bp. The proposed method is transparent, fast, accurate and the reference set can be easily updated as newly sequenced genomes become available. Moreover, the method demonstrated to be competitive when compared to the most current classifier PhyloPythia and has the advantage that it can be locally installed and the reference set can be kept up-to-date.
| S-EPMC2653487 | biostudies-literature
Project description:Permeability glycoprotein (Pgp) is an essential membrane-bound transporter that efficiently extracts compounds from a cell. As such, it is a critical determinant of the pharmacokinetic properties of drugs. Multidrug resistance in cancer is often associated with overexpression of Pgp, which increases the efflux of chemotherapeutic agents from the cell. This, in turn, may prevent an effective treatment by reducing the effective intracellular concentrations of such agents. Consequently, identifying compounds that can either be transported out of the cell by Pgp (substrates) or impair Pgp function (inhibitors) is of great interest. Herein, using publically available data, we developed quantitative structure-activity relationship (QSAR) models of Pgp substrates and inhibitors. These models employed a variable-nearest neighbor (v-NN) method that calculated the structural similarity between molecules and hence possessed an applicability domain, that is, they used all nearest neighbors that met a minimum similarity constraint. The performance characteristics of these v-NN-based models were comparable or at times superior to those of other model constructs. The best v-NN models for identifying either Pgp substrates or inhibitors showed overall accuracies of >80% and κ values of >0.60 when tested on external data sets with candidate Pgp substrates and inhibitors. The v-NN prediction model with a well-defined applicability domain gave accurate and reliable results. The v-NN method is computationally efficient and requires no retraining of the prediction model when new assay information becomes available-an important feature when keeping QSAR models up-to-date and maintaining their performance at high levels.
| S-EPMC6044698 | biostudies-literature
Project description:Resistive switching memory (RRAM) is considered as one of the most promising devices for parallel computing solutions that may overcome the von Neumann bottleneck of today's electronic systems. However, the existing RRAM-based parallel computing architectures suffer from practical problems such as device variations and extra computing circuits. In this work, we propose a novel parallel computing architecture for pattern recognition by implementing k-nearest neighbor classification on metal-oxide RRAM crossbar arrays. Metal-oxide RRAM with gradual RESET behaviors is chosen as both the storage and computing components. The proposed architecture is tested by the MNIST database. High speed (~100 ns per example) and high recognition accuracy (97.05%) are obtained. The influence of several non-ideal device properties is also discussed, and it turns out that the proposed architecture shows great tolerance to device variations. This work paves a new way to achieve RRAM-based parallel computing hardware systems with high performance.
| S-EPMC5364413 | biostudies-literature