exercises
This directory contains 5 workflows.
00_Setup
<h4 style="text-align: center">Open the workflow to install missing extensions</h4><p style="text-align: center"></p><p style="text-align: center">Nodes […]
01_Chemistry_basics
This workflow demonstrates basic cheminformatics functionality within KNIME Analytics Platform: Reading and writing various chemistry data formats; […]
02_R-Group_Decomposition
<h5>02_R-Group-Decomposition</h5><p>This is an exercise workflow to perform R-Group Decomposition.<br>To complete the workflow follow the instructions in […]
03_Clustering
<h4>03_Clustering</h4><p>This exercise shows how to perform hierarchical clustering based on molecular fingerprints and create an interactive view to pick […]
04_SimilaritySearch
In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clustering). The catalog of […]