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Computational Mass Spectrometry (Dagstuhl Seminar 15351)

Authors: Rudolf Aebersold, Oliver Kohlbacher, and Olga Vitek

Published in: Dagstuhl Reports, Volume 5, Issue 8 (2016)

Abstract

Following in the steps of high-throughput sequencing, mass spectrometry (MS) has become established as a key analytical technique for large-scale studies of complex biological mixtures. MS-based experiments generate datasets of increasing complexity and size, and the rate of production of these datasets has exceeded Moore’s law. In recent years we have witnessed the growth of computational approaches to coping with this data deluge. The seminar 'Computational Mass Spectrometry' brought together mass spectrometrists, statisticians, computer scientists and biologists to discuss where the next set of computational and statistical challenges lie. The participants discussed emerging areas of research such as how to investigate questions in systems biology with the design and analysis of datasets both large in memory usage and number of features and include measurements from multiple ‘omics technologies.

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Rudolf Aebersold, Oliver Kohlbacher, and Olga Vitek. Computational Mass Spectrometry (Dagstuhl Seminar 15351). In Dagstuhl Reports, Volume 5, Issue 8, pp. 9-33, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2016)

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@Article{aebersold_et_al:DagRep.5.8.9,
  author =	{Aebersold, Rudolf and Kohlbacher, Oliver and Vitek, Olga},
  title =	{{Computational Mass Spectrometry (Dagstuhl Seminar 15351)}},
  pages =	{9--33},
  journal =	{Dagstuhl Reports},
  ISSN =	{2192-5283},
  year =	{2016},
  volume =	{5},
  number =	{8},
  editor =	{Aebersold, Rudolf and Kohlbacher, Oliver and Vitek, Olga},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/DagRep.5.8.9},
  URN =		{urn:nbn:de:0030-drops-56765},
  doi =		{10.4230/DagRep.5.8.9},
  annote =	{Keywords: computational mass spectrometry, proteomics, metabolomics, bioinformatics}
}

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DOI: 10.4230/DagRep.3.12.1

Computational Mass Spectrometry (Dagstuhl Seminar 13491)

Authors: Ruedi Aebersbold, Oliver Kohlbacher, and Olga Vitek

Published in: Dagstuhl Reports, Volume 3, Issue 12 (2014)

Abstract

The last decade has brought tremendous technological advances in mass spectrometry, which in turn have enabled new applications of mass spectrometry in the life sciences. Proteomics, metabolomics, lipidomics, glycomics and related fields have gotten a massive boost, which also resulted in vastly increased amount of data produced and increased complexity of these data sets. An efficient and accurate analysis of these data sets has become the key bottleneck in the field. The seminar 'Computational Mass Spectrometry' brought together scientist from mass spetrometry and bioinformatics, from industry and academia to discuss the state of the art in computational mass spectrometry. The participants discussed a number of current topics, for example new and upcoming technologies, the challenges posed by new types of experiments, the challenges of the growing data volume ('big data'), or challenges for education in several working groups. The seminar reviewed the state of the art in computational mass spectrometry and summarized the upcoming challenges. The seminar also led to the creation of structures to support the computational mass spectrometry community (the formation of an ISCB Community of Interest and a HUPO subgroup on computational mass spectrometry). This community will also carry on with some of the efforts initiated during the seminar, in particular with the establishment of a computational mass spectrometry curriculum that was drafted in Dagstuhl.

Cite as

Ruedi Aebersbold, Oliver Kohlbacher, and Olga Vitek. Computational Mass Spectrometry (Dagstuhl Seminar 13491). In Dagstuhl Reports, Volume 3, Issue 12, pp. 1-16, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2014)

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@Article{aebersbold_et_al:DagRep.3.12.1,
  author =	{Aebersbold, Ruedi and Kohlbacher, Oliver and Vitek, Olga},
  title =	{{Computational Mass Spectrometry (Dagstuhl Seminar 13491)}},
  pages =	{1--16},
  journal =	{Dagstuhl Reports},
  ISSN =	{2192-5283},
  year =	{2014},
  volume =	{3},
  number =	{12},
  editor =	{Aebersbold, Ruedi and Kohlbacher, Oliver and Vitek, Olga},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/DagRep.3.12.1},
  URN =		{urn:nbn:de:0030-drops-45053},
  doi =		{10.4230/DagRep.3.12.1},
  annote =	{Keywords: computational mass spectrometry, proteomics, metabolomics, bioinformatics}
}

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Computational Mass Spectrometry (Dagstuhl Seminar 15351)

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Computational Mass Spectrometry (Dagstuhl Seminar 13491)

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