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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Author: stein

PhD Position in Bioinformatics/Cheminformatics

14 Mar,2019 stein

Project description The metabolome of microbial consortia reflects not only their species composition but also the state of the community. …

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Talk presented at Karlsruhe Institute of Technology (KIT)

4 Feb,2019 stein

I had the pleasure to present our work on PhenoMeNal and the underlying global data management infrastructure in metabolomics at …

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Vorstellung Vertiefungsfach Analytische Chemie

28 Jan,2019 stein

Folien zur Vorstellung des Vertiefungsfaches Analytische Chemie im Master

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Slides of Steinbeck talk at German Conference on Chemoinformatics (GCC), 13.11.2018

14 Nov,2018 stein

Slides for our talk „Interoperable and Scalable Metabolomics Data Analysis with Microservices“ as part of the session „Cheminformatics and Big …

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Slides for my about computer-assisted structure elucidation at W4E course in Paris

12 Oct,2018 stein

The slides for my about computer-assisted structure elucidation at W4E course at Institute Pasteur in Paris are at 10.6084/m9.figshare.7200827 Many thanks …

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Proud members of Microverse Cluster of Excellence

2 Oct,2018 stein

We are thrilled to announce that the proposal “Balance of the Microverse” has been selected as a cluster of excellence …

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Slides of my talk on NMR data sharing at ACS Boston, August 2018

20 Aug,2018 stein

The slides of my talk on NMR data sharing at ACS Boston, August 2018, can be found at https://doi.org/10.6084/m9.figshare.6984314 The submitted …

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Steinbeck group joins ChemBioSys to lead INF project

13 Aug,2018 stein

With effect from 1 July 2018, we are proud members of the collaborative research center ChemBioSys to lead the informatics …

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New joint PhD position between Luxembourg and Jena

6 Aug,2018 stein

It is my special pleasure to announce the opening of a joint Doctoral Candidate (PhD student) Position in Computational Metabolomics …

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The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

16 Jul,2018 stein

Honoured to co-author the just-appeared  piece on the value of universally available raw NMR data for transparency, reproducibility, and integrity …

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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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