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  • 1
    Publication Date: 2016-05-14
    Description: Motivation: Capabilities in the field of metabolomics have grown tremendously in recent years. Many existing resources contain the chemical properties and classifications of commonly identified metabolites. However, the annotation of small molecules (both endogenous and synthetic) to meaningful biological pathways and concepts still lags behind the analytical capabilities and the chemistry-based annotations. Furthermore, no tools are available to visually explore relationships and networks among functionally related groups of metabolites (biomedical concepts). Such a tool would provide the ability to establish testable hypotheses regarding links among metabolic pathways, cellular processes, phenotypes and diseases. Results: Here we present ConceptMetab, an interactive web-based tool for mapping and exploring the relationships among 16 069 biologically defined metabolite sets developed from Gene Ontology, KEGG and Medical Subject Headings, using both KEGG and PubChem compound identifiers, and based on statistical tests for association. We demonstrate the utility of ConceptMetab with multiple scenarios, showing it can be used to identify known and potentially novel relationships among metabolic pathways, cellular processes, phenotypes and diseases, and provides an intuitive interface for linking compounds to their molecular functions and higher level biological effects. Availability and implementation: Contacts: or Supplementary information: Supplementary data are available at Bioinformatics online.
    Print ISSN: 1367-4803
    Electronic ISSN: 1460-2059
    Topics: Biology , Computer Science , Medicine
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  • 2
    Publication Date: 2014-08-01
    Description: Gene set enrichment testing can enhance the biological interpretation of ChIP-seq data. Here, we develop a method, ChIP-Enrich, for this analysis which empirically adjusts for gene locus length (the length of the gene body and its surrounding non-coding sequence). Adjustment for gene locus length is necessary because it is often positively associated with the presence of one or more peaks and because many biologically defined gene sets have an excess of genes with longer or shorter gene locus lengths. Unlike alternative methods, ChIP-Enrich can account for the wide range of gene locus length-to-peak presence relationships (observed in ENCODE ChIP-seq data sets). We show that ChIP-Enrich has a well-calibrated type I error rate using permuted ENCODE ChIP-seq data sets; in contrast, two commonly used gene set enrichment methods, Fisher's exact test and the binomial test implemented in Genomic Regions Enrichment of Annotations Tool (GREAT), can have highly inflated type I error rates and biases in ranking. We identify DNA-binding proteins, including CTCF, JunD and glucocorticoid receptor α (GRα), that show different enrichment patterns for peaks closer to versus further from transcription start sites. We also identify known and potential new biological functions of GRα. ChIP-Enrich is available as a web interface ( ) and Bioconductor package.
    Keywords: Computational Methods, Genomics
    Print ISSN: 0305-1048
    Electronic ISSN: 1362-4962
    Topics: Biology
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  • 3
    Publication Date: 2019-08-15
    Description: The National Collaboratory concept has great potential for enabling 'critical mass' working groups and highly interdisciplinary research projects. We report here on a new program to build a prototype collaboratory using the Sondrestrom Upper Atmospheric Research Facility in Kangerlussuaq, Greenland and a group of associated scientists. The Upper Atmospheric Research Collaboratory (UARC) is a joint venture of researchers in upper atmospheric and space science, computer science, and behavioral science to develop a testbed for collaborative remote research. We define the 'collaboratory' as an advanced information technology environment which enables teams to work together over distance and time on a wide variety of intellectual tasks. It provides: (1) human-to-human communications using shared computer tools and work spaces; (2) group access and use of a network of information, data, and knowledge sources; and (3) remote access and control of instruments for data acquisition. The UARC testbed is being implemented to support a distributed community of space scientists so that they have network access to the remote instrument facility in Kangerlussuaq and are able to interact among geographically distributed locations. The goal is to enable them to use the UARC rather than physical travel to Greenland to conduct team research campaigns. Even on short notice through the collaboratory from their home institutions, participants will be able to meet together to operate a battery of remote interactive observations and to acquire, process, and interpret the data.
    Keywords: Documentation and Information Science
    Type: ; 105-112
    Format: text
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  • 4
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