Cheminformatics and Computational Metabolomics

Cheminformatics and Computational Metabolomics

Friedrich-Schiller-University, Jena, Germany

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    • Deep Learning for chemical information mining
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Postdoc Position in Cheminformatics and Computational Metabolomics

5 Dec,2017 steinLeave a comment

A postdoc position is available in my research group at Friedrich-Schiller-University Jena, Germany. Open Positions: Postdoc: We are looking for …

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Compliance with minimum information guidelines in public metabolomics repositories

26 Sep,2017 steinLeave a comment

Rachel Spicer in my group in Cambridge has published an article in Nature Scientific Data on the compliance with minimum …

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Opinion Piece on the Future of Metabolomics in ELIXIR

6 Sep,2017 steinLeave a comment

Leading metabolomics researchers across Europe have co-authored an opinion piece in F1000 Research about “The Future of Metabolomics in ELIXIR”. …

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Great talk about CDK 2.0 capabilities by John May at ACS meeting in Washington

24 Aug,2017 steinLeave a comment

John May gave a great talk about the capabilities of the 2.0 release of the Chemistry Development Kit (CDK) in a …

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Article: Automatic Assembly of Species Metabolomes

15 Aug,2017 steinLeave a comment

Together with our collaborator Mark Viant in Birmingham, Robert Hall in Wageningen and Laura Reed at the University of Alabama, …

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Review: Navigating freely-available software tools for metabolomics analysis.

14 Aug,2017 steinLeave a comment

PhD student Rachel Spicer, last woman standing in my research group in Cambridge, has just published her review on navigating …

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Steinbeck group joins Michael Stifel Center for Data-Drive and Simulation Science

10 Aug,2017 steinLeave a comment

The Michael-Stifel Center in Jena promotes interdisciplinary research and teaching in the field of data-driven and simulation-based sciences. For us, this …

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Next EMBO Course for Computational Metabolomics

10 Aug,2017 steinLeave a comment

We have been co-organising the EMBO Course for Computational Metabolomics in Cambridge for the last four years. The next course …

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Postdoc and phd positions

9 Aug,2017 steinLeave a comment

Postdoc position and phd positions are available in our group at Jena University, Germany. The successful candidates will work in …

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Steinbeck group joins de.NBI as associate member

9 Aug,2017 steinLeave a comment

It is our pleasure to join the German Network for Bioinformatics (de.NBI) as an associate member.

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News

  • Sherlock—A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data
  • MORTAR: a rich client application for in silico molecule fragmentation
  • Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)
  • DECIMER gets featured in Digital Discovery journal
  • DECIMER.ai released

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