Thanks Greg, Unfortunately I do not quite got it - you mean the size of your example is 167240704 bytes?
Regards, Evgueni 2009/4/30 Greg Landrum <greg.land...@gmail.com>: > [redirecting to list since this may be of general interest] > > Yes, I generally store molecules in databases in blob columns > containing the pickles. The primary reason for this is that one can > then skip all the work of parsing the molecule, perceiving the > chemistry, etc. > > I don't have a good general answer for how long pickles are. It really > depends on the molecules. One example I have handy is a sqlite > database containing the pubchem screening deck. The molecules are > stores as follows: > sqlite> .schema > CREATE TABLE molecules (compound_id varchar not null unique,molpkl blob); > sqlite> select count(*) from molecules; > 214178 > > % ls -l Compounds.sqlt > -rw-r--r-- 1 landrgr1 staff 167240704 Nov 22 07:28 Compounds.sqlt > > There is, no doubt, some overhead associated with the sqlite data, but > this gives a rough estimate. > > -greg > > On Thu, Apr 30, 2009 at 10:55 AM, Evgueni Kolossov <ekolos...@gmail.com> > wrote: >> and what's the length of Pickles? >> >> 2009/4/30 Evgueni Kolossov <ekolos...@gmail.com>: >>> Greg, >>> >>> In this case you probably storing Pickles into database together with >>> fingerprints. Am I right? >>> >>> Regards, >>> Evgueni >>> >>> 2009/4/30 Greg Landrum <greg.land...@gmail.com>: >>>> nope... the transformation is a lossy one >>>> >>>> On Thu, Apr 30, 2009 at 9:56 AM, Evgueni Kolossov <ekolos...@gmail.com> >>>> wrote: >>>>> Hi Greg, >>>>> >>>>> Another probably stupid question - is it possible to re-create ROMol >>>>> from fingerprints? >>>>> >>>>> Regards, >>>>> Evgueni >>>>> >>>> >>> >>> >>> >>> --
