Workshop Material - 3D-e-Chem Structural Cheminformatics Workflows for Computer-Aided Drug Discovery

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de Graaf, Chris ; Vass, Márton ; Kooistra, Albert J. ; Verhoeven, Stefan ; Ridder, Lars ; McGuire, Ross

<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-Chem GitHub website: <a href="http://3d-e-chem.github.io/">http://3d-e-chem.github.io/</a></p>
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