Structure searches without a database

ChemAxon fa971619eb

20-09-2010 16:50:38

Is it possible to do structure searching (making full use of fingerprints etc.) but without the need for a DB table.


I need to quickly create a set of structures for rapid searching and to be able to add new stuctures to the list being searched, but have no need to persist the structures in a database. All data can reside in memory.


Thanks


Tim

ChemAxon a3d59b832c

20-09-2010 17:54:59

Hi Tim,


JChem does not have a direct API for this, but I think that some of the underlying relational databases support this. See, for example:


http://www.oracle.com/technetwork/database/timesten/overview/index.html


http://db.apache.org/derby/faq.html#in_memory


http://dev.mysql.com/doc/refman/5.0/en/memory-storage-engine.html


 


Szabolcs