research data . Dataset . 2018

Workshop Material - 3D-E-Chem Structural Cheminformatics Workflows For Computer-Aided Drug Discovery

de Graaf, Chris; Vass, Márton; Kooistra, Albert J.; Verhoeven, Stefan; Ridder, Lars; McGuire, Ross;
  • Published: 02 Mar 2018
  • Publisher: Zenodo
Abstract
<p>The workshop at the KNIME user meeting (Berlin 9th of March 2018) &nbsp;is set up to stimulate participants with varying degrees of experience in cheminformatics to learn and apply the different structural cheminformatics tools and workflows developed within the context of the 3D-e-Chem project. You will learn how to construct and apply integrated cheminformatics workflows using the 3D-e-Chem KNIME nodes for the exploitation of G protein-coupled receptor and kinase data (two important pharmaceutical target classes) to obtain useful information for drug discovery.</p> <p>Information on the 3D-e-Chem KNIME nodes and workflows can be found online:</p> <p>3D-e-Ch...
Subjects
free text keywords: 3D-e-Chem, knime, cheminformatics, Structure-based
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Zenodo
Dataset . 2018
Provider: Datacite
Zenodo
Dataset . 2018
Provider: Datacite
Zenodo
Dataset . 2018
Provider: Zenodo
Zenodo
Dataset . 2018
Provider: Datacite
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