Is there a way to “clean up” all the structures in a column - meaning remove salts/solvates etc? It’s important to be able to calculate properties like TPSA or cLogP accurately.
Thanks!
Is there a way to “clean up” all the structures in a column - meaning remove salts/solvates etc? It’s important to be able to calculate properties like TPSA or cLogP accurately.
Thanks!
Thank you, Leonid, that works!