I have clustered the small molecules dataset (.sdf) by the K-medoid node. However, if i want to develop some interactive plot or graph or table for the clustering result for better visualization of results in publication. Any suggestion?
I want to further use the cluster representatives for similarity and physico-chemical property based compound searching in zinc15 database. So Please suggest any good knime workflow that answers the following questions:
a. How to link the zinc15 database to cluster representative for compounds search?
b. How to filter the aforementioned search with physicochemical and tanimoto similarity index?
I shall be grateful for your help! Looking forward!