Jean-Claude Bradley1
, Robert J Lancashire2
, Andrew SID Lang3
and Antony J Williams4 
1
Drexel University, Department of Chemistry, 32nd and Chestnut Streets, Philadelphia, Pennsylvania 19104, USA
2
Department of Chemistry, The University of the West Indies, Mona Campus, Kingston 7, Jamaica
3
Oral Roberts University, Department of Computer Science and Mathematics, 7777 S. Lewis Ave, Tulsa, Oklahoma 74171, USA
4
ChemZoo Inc, 904 Tamaras Circle, Wake Forest, North Carolina 27587, USA