solutions
This directory contains 4 workflows.
01_Chemistry_basics_solution
This workflow demonstrates basic cheminformatics functionality within the KNIME Analytics platform: Reading and writing various chemistry data formats; […]
02_R_Group_Decomposition_solution
<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_solution
This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick interesting clusters. Chemical […]
04_SimilaritySearch_solution
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 […]