Self Organizing Map by KNIME
Time to try SOM in KNIME now...
So, what I did
File Reader: Reads csv
RDKit Fingerprint: ECFP4
Expand Bit Vector: into columns
Column Filter: to delete all 0 values
PCA: to speed up the process
SOM: SOM by default
Cluster Assigner: assigns cluster
to give this result. Very fun and fantastically easy!
I'm running without PCA to see how long it takes to cluster 1024 columns. Gonna take ages. but it's fun!