Hi, is there any information on how RDkit creates bitvectors from circular fingerprints? As the theoretic featurespace is too big for storage and the default feature space used in RDkit, when converting is only 2048, there must be some kind of information loss (and compression?).
Can anyone explain how this is handled in detail? What features are used for the BV in the end, how is it decided on. Regards Jacob ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
