This node is currently not available in KNIME v5.2 — instead we’re showing this page for KNIME v4.7. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.
Compares molecule fingerprints of a test set and lists identifiers of molecules having scores larger than a preset threshold in the reference set.
Options
Input Ports
- Table with string columns for molecule identifier and a BitVector fingerprint column, for the test set
- Table with string columns for molecule identifier and a BitVector fingerprint column, for the reference set
Output Ports
- Input table with attached tanimoto.id (a copy of the string identifiers of the molecule compared), tanimoto.similars (list of identifiers of molecules with a tanimoto similarity higher than the threshold), tanimoto.coefficients (the corresponding tanimito similarities of those molecules), tanimoto.num.similars (the number of similar molecules found)
Views
- This node has no views
Workflows
- No workflows found
Links
- No links available
Developers
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.