Finding small molecules in big data

Apr
10
2018

Analytica Conference > GBM / Room 2 > BIG DATA Tools for OMICS

10. Apr 2018
16:00-16:30 h  |  ICM - Internationales Congress Center München Room 2

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Subjects: 

Pharma & Diagnostics

|

Biotechnology & Life Sciences

|

Digital Transformation / Smart Laboratory

Speaker: 

Dr. Emma Schymanski 

(University of Luxembourg,)

Type:
Lecture
Speech: English

Metabolomics and exposomics are amongst the youngest and most dynamic of the omics disciplines. While the molecules involved are smaller than proteomics and the other, larger “omics”, the challenges are in many ways greater. Elements are less constrained, there are no given “puzzle pieces” and there is a resulting explosion in terms of potential chemical space. It is impossible to even enumerate all chemically possible small molecules. The challenges and complexity of identifying small molecules even using the most advanced analytical technologies available today is immense. Current “big data” methods for small molecules rely heavily on chemical databases, the largest of which presently available contain ~100 million chemicals. Despite this large number, high resolution mass spectrometry (HR-MS) measurements contain tens of thousands of features, of which only a few percent can be annotated as “known” and confirmed as metabolites or chemicals of interest using these chemical databases. How can we find relevant small molecules in the ever increasing data loads? How can we annotate more of the unknown features in HR-MS experiments? This talk will present European, US and worldwide initiatives to help find small molecules in big data - from chemical databases to spectral libraries, real-time monitoring to retrospective screening. It will touch on the challenges of standardized structure representations, data curation and deposition. Finally, it will show how interdisciplinary communication, data sharing and pushing the boundaries of current capabilities can facilitate research efforts in metabolomics, exposomics and beyond. This abstract does not necessarily represent U.S. EPA policy.

Speaker
Dr. Emma Schymanski (Luxembourg Centre for Systems Biomedicine), University of Luxembourg, Show Profile

Location
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ConferenceCenter Nord
ICM -InternationalesCongressCenterMünchen
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EntranceEast
EntranceNorth-West
EntranceNorth
Outdoor areas
EntranceNorth-East
ConferenceCenter Nord
ICM
B0
C1
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B1
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EntranceWest
Atrium
EntranceEast
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Apr
10
2018

Analytica Conference > GBM / Room 2 > BIG DATA Tools for OMICS

Large-scale inference for RNA-seq experiments

10. Apr 2018
15:30-16:00 h  |  ICM - Internationales Congress Center München Room 2
Speaker: Prof. Dr. Lieven Clement (Ghent University,)

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Apr
10
2018

Analytica Conference > GBM / Room 2 > BIG DATA Tools for OMICS

The proteomics way of digesting the big data pie

10. Apr 2018
16:30-17:00 h  |  ICM - Internationales Congress Center München Room 2
Speaker: Dr. Dominik Kopczynski (Leibniz-Institut für Analytische Wissenschaften - ISAS - e.V.), Dr. Robert Ahrends (Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V.), Prof. Dr. Albert Sickmann (Leibniz-Institut für Analytische Wissenschaften - ISAS - e.V.)

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Apr
10
2018

Analytica Conference > GBM / Room 2 > BIG DATA Tools for OMICS

Large scale discovery of new proteins and modifications with community-scale proteomics big data

10. Apr 2018
15:00-15:30 h  |  ICM - Internationales Congress Center München Room 2
Speaker: Prof. Dr. Nuno Bandeira (University of California)

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