On 11/10/11 7:44 AM, David García Aristegui wrote: > Hello, i'm reading about substructure and similarity searches... > http://openbabel.org/docs/dev/Fingerprints/fingerprints.html > > "On larger datasets it is necessary to first build a fastsearch index. > This is a new file that stores a database of fingerprints for the files > indexed. You will still need to keep both the new .fs fastsearch index and > the original files. However, the new index will allow significantly faster > searching and similarity comparisons" > > Does anyone know what is the best way to store the fastsearch index (to > reuse it) in a chemical structures database? best field type to store it? > (i'm using MySQL).
Don't store it in the database. Just keep it in a file. It's a huge binary file, and there's no point at all storing it in the database; that's not what relational databases are good at. We use our own fingerprint algorithms, but the idea is the same: fingerprints are stored in an external file, along with the primary key to our SMILES table in the database. Craig ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
