Making the Case

October 13, 2006

The SMIREP system is available from http://www.karwath.org/systems/smirep/ under the GNU General Public License. The Web page also contains the data files used in the Experimental Section. The system is provided in Python and C source code, including the required Python OpenBabel module OBGrep.

Andreas Karwath and Luc De Raedt, J. Chem. Inf. Model ASAP Articles

Karwath and De Raedt are onto something more than just an innovative use of SMILES strings. When the majority of chemical informatics papers provide instructions for downloading both complete source code and complete data sets, the game will have changed forever. Advocating this postion in essays, presentations, emails, and letters is one way to make the case, and a very old one at that. For your next paper, why not make the case with a statement like the one above?