The 3D-e-Chem team joined the KNIME spring summit in Berlin again, but this time with two oral presentations, one poster presentation, and a hands-on workshop!
On Tuesday Stefan Verhoeven presented and demonstrated “KNIME node development: Maven and Tycho” during the developer meeting. Chris de Graaf provided a comprehensive overview of the 3D-e-Chem project during an invited oral presentation entitled “KNIME Structural Cheminformatics Workflows for Computer-Aided Drug Discovery” on Thursday morning, and in the evening the team presented their latest work with a poster entitled “Structural Cheminformatics Workflows for Computer-Aided Drug Discovery”. Finally, on the last day of the summit, Márton Vass and Albert J. Kooistra held a (hands-on) workshop titled “3D-e-Chem KNIME Nodes for Integrated Structural Cheminformatics Analysis and Computer-Aided Drug Discovery”.
It was another great KNIME summit, which clearly showed that there are many exciting developments on hand.
3D-e-Chem workshop materials:
- Workshop tutorial
- KNIME workflows including all data
- KNIME workflows without data
- ChemMedChem article