Similarity Search

This example workflow illustrates the use of the CSD Similarity Search component. Queries may come from various sources, but must be in MOL format. The similarity of the hit to the query is returned. This is calculated using the Tanimoto coefficient on 2D, path-based fingerprints.


This is a companion discussion topic for the original entry at https://kni.me/w/bhAk6em8vUkhftWc