ReVisE: Remote visualization environment for large numerical simulation datasets.
Ontology highlight
ABSTRACT:
SUBMITTER: Orlov S
PROVIDER: S-EPMC8315543 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:BackgroundDrug combinations have the potential to improve efficacy while limiting toxicity. To robustly identify synergistic combinations, high-throughput screens using full dose-response surface are desirable but require an impractical number of data points. Screening of a sparse number of doses per drug allows to screen large numbers of drug pairs, but complicates statistical assessment of synergy. Furthermore, since the number of pairwise combinations grows with the square of the number of drugs, exploration of large screens necessitates advanced visualization tools.ResultsWe describe a statistical and visualization framework for the analysis of large-scale drug combination screens. We developed an approach suitable for datasets with large number of drugs pairs even if small number of data points are available per drug pair. We demonstrate our approach using a systematic screen of all possible pairs among 108 cancer drugs applied to melanoma cell lines. In this dataset only two dose-response data points per drug pair and two data points per single drug test were available. We used a Bliss-based linear model, effectively borrowing data from the drug pairs to obtain robust estimations of the singlet viabilities, consequently yielding better estimates of drug synergy. Our method improves data consistency across dosing thus likely reducing the number of false positives. The approach allows to compute p values accounting for standard errors of the modeled singlets and combination viabilities. We further develop a synergy specificity score that distinguishes specific synergies from those arising with promiscuous drugs. Finally, we developed a summarized interactive visualization in a web application, providing efficient access to any of the 439,000 data points in the combination matrix ( http://www.cmtlab.org:3000/combo_app.html ). The code of the analysis and the web application is available at https://github.com/arnaudmgh/synergy-screen .ConclusionsWe show that statistical modeling of single drug response from drug combination data can help determine significance of synergy and antagonism in drug combination screens with few data point per drug pair. We provide a web application for the rapid exploration of large combinatorial drug screen. All codes are available to the community, as a resource for further analysis of published data and for analysis of other drug screens.
| S-EPMC6378741 | biostudies-literature
Project description:Data-parallel programming techniques can dramatically decrease the time needed to analyze large datasets. While these methods have provided significant improvements for sequencing-based analyses, other areas of biological informatics have not yet adopted them. Here, we introduce Biospark, a new framework for performing data-parallel analysis on large numerical datasets. Biospark builds upon the open source Hadoop and Spark projects, bringing domain-specific features for biology.Availability and implementationSource code is licensed under the Apache 2.0 open source license and is available at the project website: https://www.assembla.com/spaces/roberts-lab-public/wiki/Biospark CONTACT: eroberts@jhu.eduSupplementary information: Supplementary data are available at Bioinformatics online.
| S-EPMC6276899 | biostudies-literature
Project description:BackgroundWith the amount of influenza genome sequence data growing rapidly, researchers need machine assistance in selecting datasets and exploring the data. Enhanced visualization tools are required to represent results of the exploratory analysis on the web in an easy-to-comprehend form and to facilitate convenient information retrieval.ResultsWe developed an approach to visualize large phylogenetic trees in an aggregated form with a special representation of subscale details. The initial aggregated tree representation is built with a level of resolution automatically selected to fit into the available screen space, with terminal groups selected based on sequence similarity. The default aggregated representation can be refined by users interactively.Structure and data variability within terminal groups are displayed using small trees that have the same vertical size as the text annotation of the group. These subscale representations are calculated using systematic sampling from the corresponding terminal group. The aggregated tree containing terminal groups can be annotated using aggregation of structured metadata, such as seasonal distribution, geographic locations, etc.AvailabilityThe algorithms are implemented in JavaScript within the NCBI Influenza Virus Resource 1.
| S-EPMC2416652 | biostudies-literature
Project description:MotivationWith the continued improvement of requisite mass spectrometers and UHPLC systems, Hydrogen/Deuterium eXchange Mass Spectrometry (HDX-MS) workflows are rapidly evolving towards the investigation of more challenging biological systems, including large protein complexes and membrane proteins. The analysis of such extensive systems results in very large HDX-MS datasets for which specific analysis tools are required to speed up data validation and interpretation.ResultsWe introduce a web application and a new R-package named 'MEMHDX' to help users analyze, validate and visualize large HDX-MS datasets. MEMHDX is composed of two elements. A statistical tool aids in the validation of the results by applying a mixed-effects model for each peptide, in each experimental condition, and at each time point, taking into account the time dependency of the HDX reaction and number of independent replicates. Two adjusted P-values are generated per peptide, one for the 'Change in dynamics' and one for the 'Magnitude of ΔD', and are used to classify the data by means of a 'Logit' representation. A user-friendly interface developed with Shiny by RStudio facilitates the use of the package. This interactive tool allows the user to easily and rapidly validate, visualize and compare the relative deuterium incorporation on the amino acid sequence and 3D structure, providing both spatial and temporal information.Availability and implementationMEMHDX is freely available as a web tool at the project home page http://memhdx.c3bi.pasteur.fr CONTACT: marie-agnes.dillies@pasteur.fr or sebastien.brier@pasteur.frSupplementary information: Supplementary data is available at Bioinformatics online.
| S-EPMC5181559 | biostudies-literature
Project description:Accurate and comprehensive extraction of information from high-dimensional single cell datasets necessitates faithful visualizations to assess biological populations. A state-of-the-art algorithm for non-linear dimension reduction, t-SNE, requires multiple heuristics and fails to produce clear representations of datasets when millions of cells are projected. We develop opt-SNE, an automated toolkit for t-SNE parameter selection that utilizes Kullback-Leibler divergence evaluation in real time to tailor the early exaggeration and overall number of gradient descent iterations in a dataset-specific manner. The precise calibration of early exaggeration together with opt-SNE adjustment of gradient descent learning rate dramatically improves computation time and enables high-quality visualization of large cytometry and transcriptomics datasets, overcoming limitations of analysis tools with hard-coded parameters that often produce poorly resolved or misleading maps of fluorescent and mass cytometry data. In summary, opt-SNE enables superior data resolution in t-SNE space and thereby more accurate data interpretation.
| S-EPMC6882880 | biostudies-literature
Project description:The Solve-RD project objectives include solving undiagnosed rare diseases (RD) through collaborative research on shared genome-phenome datasets. The RD-Connect Genome-Phenome Analysis Platform (GPAP), for data collation and analysis, and the European Genome-Phenome Archive (EGA), for file storage, are two key components of the Solve-RD infrastructure. Clinical researchers can identify candidate genetic variants within the RD-Connect GPAP and, thanks to the developments presented here as part of joint ELIXIR activities, are able to remotely visualize the corresponding alignments stored at the EGA. The Global Alliance for Genomics and Health (GA4GH) htsget streaming application programming interface (API) is used to retrieve alignment slices, which are rendered by an integrated genome viewer (IGV) instance embedded in the GPAP. As a result, it is no longer necessary for over 11,000 datasets to download large alignment files to visualize them locally. This work highlights the advantages, from both the user and infrastructure perspectives, of implementing interoperability standards for establishing federated genomics data networks.
| S-EPMC9932977 | biostudies-literature
Project description:The large-scale ingot of the 7xxx-series aluminum alloys fabricated by direct chill (DC) casting often suffers from foundry defects such as cracks and cold shut due to the formidable challenges in the precise controlling of casting parameters. In this manuscript, by using the integrated computational method combining numerical simulations with machine learning, we systematically estimated the evolution of multi-physical fields and grain structures during the solidification processes. The numerical simulation results quantified the influences of key casting parameters including pouring temperature, casting speed, primary cooling intensity, and secondary cooling water flow rate on the shape of the mushy zone, heat transport, residual stress, and grain structure of DC casting ingots. Then, based on the data of numerical simulations, we established a novel model for the relationship between casting parameters and solidification characteristics through machine learning. By comparing it with experimental measurements, the model showed reasonable accuracy in predicting the sump profile, microstructure evolution, and solidification kinetics under the complicated influences of casting parameters. The integrated computational method and predicting model could be used to efficiently and accurately determine the DC casting parameters to decrease the casting defects.
| S-EPMC10971882 | biostudies-literature
Project description:Quality control and normalization is considered the most important step in the analysis of microarray data. At present there are various methods available for quality assessments of microarray datasets. However there seems to be no standard visualization routine, which also depicts individual microarray quality. Here we present a convenient method for visualizing the results of standard quality control tests using Circos plots. In these plots various quality measurements are drawn in a circular fashion, thus allowing for visualization of the quality and all outliers of each distinct array within a microarray dataset. The proposed method is intended for use with the Affymetrix Human Genome platform (i.e., GPL 96, GPL570 and GPL571). Circos quality measurement plots are a convenient way for the initial quality estimate of Affymetrix datasets that are stored in publicly available databases.
| S-EPMC5003439 | biostudies-literature
Project description:Polymer flooding is an enhanced oil recovery (EOR) process, which has received increasing interest in the industry. In this process, water-soluble polymers are used to increase injected water viscosity in order to improve mobility ratio and hence improve reservoir sweep. Polymer solutions are non-Newtonian fluids, i.e., their viscosities are shear dependent. Polymers may exhibit an increase in viscosity at high shear rates in porous media, which can cause injectivity loss. In contrast, at low shear rates they may observe viscosity loss and hence enhance the injectivity. Therefore, due to the complex non-Newtonian rheology of polymers, it is necessary to optimize the design of polymer injectivity tests in order to improve our understanding of the rheology behavior and enhance the design of polymer flood projects. This study has been addressing what information that can be gained from polymer injectivity tests, and how to design the test for maximizing information. The main source of information in the field is from the injection bottom-hole pressure (BHP). Simulation studies have analyzed the response of different non-Newtonian rheology on BHP with variations of rate and time. The results have shown that BHP from injectivity tests can be used to detect in-situ polymer rheology.
| S-EPMC7240407 | biostudies-literature
Project description:The COVID-19 virus outbreak has affected most of the world in 2020. This paper deals with artificial intelligence (AI) methods that can address the problem of predicting scale, dynamics and sensitivity of the outbreak to preventive actions undertaken with a view to combatting the epidemic. In our study, we developed a cellular automata (CA) model for simulating the COVID-19 disease spreading. The enhanced infectious disease dynamics? SEIR (Susceptible, Exposed, Infectious, and Recovered) model was applied to estimate the epidemic trends in Poland, France, and Spain. We introduced new parameters into the simulation framework which reflect the statistically confirmed dependencies such as age-dependent death probability, a different definition of the contact rate and enhanced parameters reflecting population mobility. To estimate key epidemiological measures and to predict possible dynamics of the disease, we juxtaposed crucial CA framework parameters to the reported COVID-19 values, e.g. length of infection, mortality rates and the reproduction number. Moreover, we used real population density and age structures of the studied epidemic populations. The model presented allows for the examination of the effectiveness of preventive actions and their impact on the spreading rate and the duration of the disease. It also shows the influence of structure and behavior of the populations studied on key epidemic parameters, such as mortality and infection rates. Although our results are critically dependent on the assumptions underpinning our model and there is considerable uncertainty associated with the outbreaks at such an early epidemic stage, the obtained simulation results seem to be in general agreement with the observed behavior of the real COVID-19 disease, and our numerical framework can be effectively used to analyze the dynamics and efficacy of epidemic containment methods.
| S-EPMC7557303 | biostudies-literature