Literature DB >> 29186333

FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web.

Daniel Probst1, Jean-Louis Reymond1.   

Abstract

Motivation: During the past decade, big data have become a major tool in scientific endeavors. Although statistical methods and algorithms are well-suited for analyzing and summarizing enormous amounts of data, the results do not allow for a visual inspection of the entire data. Current scientific software, including R packages and Python libraries such as ggplot2, matplotlib and plot.ly, do not support interactive visualizations of datasets exceeding 100 000 data points on the web. Other solutions enable the web-based visualization of big data only through data reduction or statistical representations. However, recent hardware developments, especially advancements in graphical processing units, allow for the rendering of millions of data points on a wide range of consumer hardware such as laptops, tablets and mobile phones. Similar to the challenges and opportunities brought to virtually every scientific field by big data, both the visualization of and interaction with copious amounts of data are both demanding and hold great promise.
Results: Here we present FUn, a framework consisting of a client (Faerun) and server (Underdark) module, facilitating the creation of web-based, interactive 3D visualizations of large datasets, enabling record level visual inspection. We also introduce a reference implementation providing access to SureChEMBL, a database containing patent information on more than 17 million chemical compounds. Availability and implementation: The source code and the most recent builds of Faerun and Underdark, Lore.js and the data preprocessing toolchain used in the reference implementation, are available on the project website (http://doc.gdb.tools/fun/). Contact: daniel.probst@dcb.unibe.ch or jean-louis.reymond@dcb.unibe.ch.

Mesh:

Year:  2018        PMID: 29186333     DOI: 10.1093/bioinformatics/btx760

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  6 in total

1.  One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.

Authors:  Alice Capecchi; Daniel Probst; Jean-Louis Reymond
Journal:  J Cheminform       Date:  2020-06-12       Impact factor: 5.514

2.  The LOTUS initiative for open knowledge management in natural products research.

Authors:  Adriano Rutz; Maria Sorokina; Jakub Galgonek; Daniel Mietchen; Egon Willighagen; Arnaud Gaudry; James G Graham; Ralf Stephan; Roderic Page; Jiří Vondrášek; Christoph Steinbeck; Guido F Pauli; Jean-Luc Wolfender; Jonathan Bisson; Pierre-Marie Allard
Journal:  Elife       Date:  2022-05-26       Impact factor: 8.713

3.  Visualization of very large high-dimensional data sets as minimum spanning trees.

Authors:  Daniel Probst; Jean-Louis Reymond
Journal:  J Cheminform       Date:  2020-02-12       Impact factor: 5.514

4.  Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation.

Authors:  Marion Poirier; Jonai Pujol-Giménez; Cristina Manatschal; Sven Bühlmann; Ahmed Embaby; Sacha Javor; Matthias A Hediger; Jean-Louis Reymond
Journal:  RSC Med Chem       Date:  2020-06-02

5.  Machine Learning Guided Discovery of Non-Hemolytic Membrane Disruptive Anticancer Peptides.

Authors:  Elena Zakharova; Markus Orsi; Alice Capecchi; Jean-Louis Reymond
Journal:  ChemMedChem       Date:  2022-08-05       Impact factor: 3.540

6.  Assigning the Origin of Microbial Natural Products by Chemical Space Map and Machine Learning.

Authors:  Alice Capecchi; Jean-Louis Reymond
Journal:  Biomolecules       Date:  2020-09-28
  6 in total

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