Hi there Adrian, Why should splitting the table vertically make a difference? Am I not correct in thinking that would then require a join, which is expensive (especially on 8M rows) ?
My FS is local, and my indices are quite large db=# \di+ idx_ligand_rdkitmol; List of relations Schema | Name | Type | Owner | Table | Size | Description --------+---------------------+-------+-------+--------+---------+------------- public | idx_ligand_rdkitmol | index | jpebe | ligand | 5030 MB | (1 row) db=# \di+ idx_ligand_morganbv; List of relations Schema | Name | Type | Owner | Table | Size | Description --------+---------------------+-------+-------+--------+---------+------------- public | idx_ligand_morganbv | index | jpebe | ligand | 1645 MB | (1 row) But Greg is right (!) running the query a second time resulted in much faster performance (11285.886ms as opposed to the original 193973.253ms) Of course if you change the smiles string, than nothing is cached and it takes ages again... Interested, JP ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss