In the next step, we assessed the DeepConf and Auto3D predicted minima with respect to G16 predicted ones starting with G16 optimized global minima for these compounds. In this part, instead of manually creating intermediate structures, we started with G16 equilibrium and used the two conformer generation algorithms to find global and local minima. We defined the following success criteria for minima generation by the two conformer algorithms. If the conformer generation algorithms suggested minima match the G16 predicted ones by means that RMSD is less than or equal to 0.5 Å, then we considered this as successful. The rationale for choosing 0.5 Å as the success threshold is that the G16-predicted conformers for these small ligands are separated by at least this RMSD value (Figure ). So, covering all the G16 predicted minima by Confgen (or Auto3D) within the RMSD of 0.5 Å would yield 100% success.