Re: [Open Babel] Question regarding your software

2021-10-05 Thread Francois Berenger
On 06/10/2021 05:38, Evgeny Akkuratov wrote: 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 s

[Open Babel] Question regarding your software

2021-10-05 Thread Evgeny Akkuratov
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 no