[Rdkit-discuss] Best practice: which (database) fingerprints to use ?

Hi there, I am storing a ton of molecules (~8M - it would be a ton if you print them all out, and hance use all of the trees in Regent's Park) in a database and using fingerprints for substructure and similarity searches. The fingerprints I am currently using are the ones I took blindly from the

Re: [Rdkit-discuss] Best practice: which (database) fingerprints to use ?

for substructure searching though. Hope that helps Nik From: JP [mailto:jeanpaul.ebe...@inhibox.com] Sent: Tuesday, March 08, 2011 11:05 AM To: rdkit-discuss@lists.sourceforge.net Subject: [Rdkit-discuss] Best practice: which (database) fingerprints to use ? Hi there, I am storing a ton of molecules (~8M