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01_​Tarceva_​neighbor_​network_​from_​SureChEMBL

Workflow

Key compound from patent
This workflow uses the RDKit extensions and KNIME network nodes to power an interactive application for finding the key compound in a set of compounds taken from a patent.
This worfkow demonstrates use of many of the new interactivityfeatures present in KNIME v3.4The data, from patent WO-1996030347-A1, were exported from SureChEMBLExtensions required: - RDKit - Javascript views - Distance matrix support - Network mining Read data View and manuallyfilter data Generate neighbornetwork Display the network anddata to allow selection ofrows Display the finaldata Remove duplicatesand add descriptorsand fingerprints Read SureChEMBLchemistry exportNode 124Node 125Node 136 File Reader View Data Network Viewand Filter View Final Results Build network Generatedistance matrix Preprocess data This worfkow demonstrates use of many of the new interactivityfeatures present in KNIME v3.4The data, from patent WO-1996030347-A1, were exported from SureChEMBLExtensions required: - RDKit - Javascript views - Distance matrix support - Network mining Read data View and manuallyfilter data Generate neighbornetwork Display the network anddata to allow selection ofrows Display the finaldata Remove duplicatesand add descriptorsand fingerprints Read SureChEMBLchemistry exportNode 124Node 125Node 136 File Reader View Data Network Viewand Filter View Final Results Build network Generatedistance matrix Preprocess data

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Nodes

01_​Tarceva_​neighbor_​network_​from_​SureChEMBL consists of the following 40 nodes(s):

Plugins

01_​Tarceva_​neighbor_​network_​from_​SureChEMBL contains nodes provided by the following 9 plugin(s):