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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


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    <subfield code="a">&lt;p&gt;The workshop at the KNIME user meeting (Berlin 9th of March 2018) &amp;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.&lt;/p&gt;

&lt;p&gt;Information on the 3D-e-Chem KNIME nodes and workflows can be found online:&lt;/p&gt;

&lt;p&gt;3D-e-Chem GitHub website: &lt;a href="http://3d-e-chem.github.io/"&gt;http://3d-e-chem.github.io/&lt;/a&gt;&lt;/p&gt;</subfield>
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