We do not have yet a node that reads the "tanimoto scores matrix" (assuming that this is the dissimilarity matrix?). Supporting that sort of data is on our to-do list (among many other things), and it does also have high priority!
Yeah - Similarity or dissimiliarity. It's a score from 0 to 1. Higher being similar. Actually, KNIME already kind of supports the matrix, I believe.
I inputed in a N by N scores matrix into the hierarchical clustering node. And it gave me the cluster tree. The matrix was diagonally symmetrical, and it worked fine. Its supposed to right? I haven't tried the hierarchical node with an assymetric matrix (not all scores need to have i=j and j=i. Or just the top diagonal yet. Are those being considered?
Please note that the representation of the BitVectorCells in the table view is a bit cryptic (it only prints the cardinality of the fingerprint) - but that's something which has been discussed earlier in this thread...
Right. I read it earlier. Either way works for me now that you explained what it is.
Thanks for the help. The neighborgram is coming out well. I had to include a StringValue column into the Universal Marker node for the NeighborGram node to work properly. Now I'm just going to read your paper and figure out exactly what I'm looking at and how to interpret it ! :)