Figure 1.
Functional group distribution from a one million SMILES random sample from the aggregate dataset used for pre-training. There are 85 fragments/groups considered according to RDKit’s fragment module.
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.