Good afternoon, I have a question regarding your software. I have two datasets of chemical molecules and I would like to know whether there is any similar molecule in dataset #2 for the each molecule from dataset #1. I was planning to use MolPrint2D score to judge whether they are similar or not however I find out that I can do it in Open Bable. Can I kindly ask you to guide me how to do it? Both datasets are in sdf format.
Best, Evgeny _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
