1. Department of Chemistry; Shiv Nadar University; Dadri Gautam Budh Nagar U.P. 201314 India
2. Center for Informatics; Shiv Nadar University; Dadri Gautam Budh Nagar U.P. 201314 India
3. Rensselaer Exploratory Center for Cheminformatics Research; Department of Chemistry; Rensselaer Polytechnic Institute; Troy NY 12180 USA
4. Department of Mathematics; Shiv Nadar University; Dadri Gautam Budh Nagar U.P. 201314 India