Well, I guess this means no. That leaves more fun for me... :-P -Axel
On 23.03.2017 09:38, Axel Pahl wrote: > Dear fellow RDKitters, > > has someone by any chance tried to implement in RDKit the scaffold > distance algorithm by Jürgen Bajorath et al. (and would be willing to > share some code)? > > Li, R.; Stumpfe, D.; Vogt, M.; Geppert, H.; Bajorath, J. > Development of a Method to Consistently Quantify the Structural Distance > Between Scaffolds and to Assess Scaffold Hopping Potential > J. Chem. Inf. Model. 2011, 51, 2507 > DOI: 10.1021/ci2003945 > > Best regards, > Axel > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
