Provides KNIME nodes with functionality for data mining and screening data processing
FastTanimoto: permits to search similar molecules within a set of molecules using molecular fingerprints. Output is presented such that it can easily be incorporated into a report.
FastTanimoto2: permits to search similar molecules in a second set of molecules using molecular fingerprints.
SPARQL Query: permits to send a SPARQL Query to a SPARQL endpoint and retrieves the result as a table of strings.
For quick installation of the nodes into an existing KNIME installation, download the "de.EUOPENSCREEN_1.0.0.version.jar" file and place it into the "dropins" subfolder of your knime installation. The nodes will appear in the Node repository in the "Community Contributions/HTS Data Mining" subsection. Alternatively, you can install the nodes via the KNIME update site, "http://update.knime.org/community-contributions/trunk" (install KNIME Community Contributions (nightly build), Cheminformatics, EU-OPENSCREEN nodes). Tested with a fresh KNIME 2.12.0 installation 6.aug.2015