So, it's good that I can analyze chemical space but where is my molecules of interest in there? Simple way is to color and size by additional column like "MINE". At the bottom of this pic, I made "color vals" and "size vals" to mine column…

Time to try SOM in KNIME now... So, what I did File Reader: Reads csvRDKit Fingerprint: ECFP4Expand Bit Vector: into columnsColumn Filter: to delete all 0 valuesPCA: to speed up the processSOM: SOM by defaultCluster Assigner: assigns clust…