I'm slightly confused over the cartridge search functions. The docs give examples like this:
select * from rdk.mols where m@>'c1cccc2c1CNCCN2' select * from rdk.mols where m@>'c1[o,s]ncn1'::qmol Q1: As SSS by definition uses a query mol, I'm not totally clear what's happening in the first of these. Q2: Would the result be any different if if the smiles were cast to qmol? Q3: using this form is only smiles or smarts supported or could the param be molfile (e.g. when using bind variables), or would the qmol_from_ctab() function need to be used. There are functions mol_from_smiles(), mol_from_smarts() and mol_from_ctab(). There are also qmol_from_smiles(), and qmol_from_ctab(). Q4: why is there no qmol_from_smarts(). Thanks Tim ------------------------------------------------------------------------------ Find and fix application performance issues faster with Applications Manager Applications Manager provides deep performance insights into multiple tiers of your business applications. It resolves application problems quickly and reduces your MTTR. Get your free trial! https://ad.doubleclick.net/ddm/clk/302982198;130105516;z _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
