Figure 7.

The distribution of best-fit conformers (defined by minimum RMSD to crystal structures) to 329 compounds for Cyndi, Catalyst Fast, Catalyst Best, Catalyst CEASAR and balloon. The best fit RMSD cumulative distributions for 329 molecules are compared among 6 methods: Cyndi (both with 3 and 4 objectives), Catalyst Fast, Catalyst Best, Catalyst CEASAR and Balloon. Note that Fast, Best and CEASAR failed to generate conformations for some molecules, as the entries labeled by "NA" in Table A1 (see Additional file 2).