From Open Babel
Revision as of 16:45, 26 January 2006 by Ghutchis (Talk | contribs) (Additional Comments)

Jump to: navigation, search
Filename Extensions {{{extensions}}}
Chemical MIME Type {{{mime}}}
Specification URL {{{url}}}
Notes {{{notes}}}



Additional Comments

This format uses molecular fingerprints to prepare and search an index of a multi-molecule datafile. It allows fast substructure and structural similarity searching. The indexing is a slow process (~30 minutes for a 250,000 molecule file). The subsequent seaching is much faster, a few seconds, and so can be done interactively.