How can I run SMSD using Java Thread….is SMSD thread safe?
The short answer is “YES” you can.
Here is a snippet to demonstrate that SMSD is thread safe.
The latest version of the SMSD is not also thread safe but it also comes with optimised matchers (bond and atom).
For, example you could demand it to respect the ring matching (restrict) while finding MCS.
Thus an MCS between a query SMILES “ONC1=CC=CC=C1” and target SMILES “O1C=CC=CN1C1=CC=CC=C1”.
a) without ring matcher is “ONC1=CC=CC=C1”
b) with ring matcher is “C1=CC=CC=C1”
This might be useful for few SMSD users.