Hi there,

we have some rather large databases (several mio. compounds) which are routinely used in similarity or substructure searches.

Do you have any suggestion on how to speed up the process, e.g. by storing precalculated fingerprints? At the moment, those databases are flat-file SD, but we could also put them in an sql-database to perform e.g. SMILES comparisons.

Thanks,
Bjoern