Enumerating Large Libraries

• Enumerating libraries larger than 10K in LibGen is probably not a good idea
• However, LibGen can be used to generate SMIRKS which can be used with in-house command line tools

    dfs_lib.pl aniline.smi benzoic.smi | rxn.pl amide.rxn | super_reos.pl

Libraries of > 1,000,000 compounds can be easily enumerated using the command line tools