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Tarceva_​neighbor_​network

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.

The data, from patent WO-1996030347-A1, were exported fromSureChEMBLExtensions required: - RDKit - Distance matrix support - Network mining Read data View and manuallyfilter data Generate neighbornetwork Display the networkand data to allowselection of rows Display the finaldata Remove duplicatesand add descriptorsand fingerprints Read SureChEMBLchemistry exportNode 136File Reader View Data Network Viewand Filter View Final Results Preprocess data Generateneighbor network The data, from patent WO-1996030347-A1, were exported fromSureChEMBLExtensions required: - RDKit - Distance matrix support - Network mining Read data View and manuallyfilter data Generate neighbornetwork Display the networkand data to allowselection of rows Display the finaldata Remove duplicatesand add descriptorsand fingerprints Read SureChEMBLchemistry exportNode 136File Reader View Data Network Viewand Filter View Final Results Preprocess data Generateneighbor network

Nodes

Extensions

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: glandrum
Created at: 2016-11-10
On NodePit since: 2020-11-12
Last update: 2024-04-23
Created with KNIME version: v4.2.3

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