McAllister, Scott R, Xiao-Jiang Feng, Peter A DiMaggio, Christodoulos A Floudas, Joshua D Rabinowitz, and Herschel Rabitz. (2008) 2008. “Descriptor-Free Molecular Discovery in Large Libraries by Adaptive Substituent Reordering.”. Bioorg Med Chem Lett 18 (22): 5967-70. Reference Link