Table 4.

Chemoinformatics articles attracting the largest numbers of citations.

Output	Citations
O’Boyle N.M. et al. Open Babel: An open chemical toolbox. J. Cheminform. 2011, 3, 33, doi:10.1186/1758-2946-3-33. [17]	1526
Wishart D.S. et al. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 2006, 34, D668-D672, doi:10.1093/nar/gkj067. [18]	1344
Scherf, U. et al. A gene expression database for the molecular pharmacology of cancer. Nat. Genet. 2000, 24, 236-244, doi:10.1038/73439. [19]	1065
Svetnik, V. et al. Random forest: A classification and regression tool for compound classification and QSAR modeling. J. Chem. Inf. Comput. Sci. 2003, 43, 1947-1958, doi:10.1021/ci034160g. [20]	834
Xia, J. et al. MetaboAnalyst: a web server for metabolomic data analysis and interpretation. Nucleic Acids Res. 2009, 37, W652-W660, doi:10.1093/nar/gkp356. [21]	689
Allen, F.H.; Motherwell, W.D.S. Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry. Acta Crystallogr. B Struct. Sci. Cryst. Eng. Mater. 2002, 58, 407-422, doi:10.1107/S0108768102004895. [22]	502
Dix, D.J. et al. The ToxCast program for prioritizing toxicity testing of environmental chemicals. Toxicol. Sci. 2007, 95, 5-12, doi:10.1093/toxsci/kfl103. [23]	420
Burbidge, R. et al. Drug design by machine learning: support vector machines for pharmaceutical data analysis. Comput. Chem. 2001, 26, 5-14, doi:10.1016/S0097-8485(01)00094-8. [24]	403
Koch, M.A. et al. Charting biologically relevant chemical space: A structural classification of natural products (SCONP). Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 17272-17277, doi:10.1073/pnas.0503647102. [25]	387
Hopkins, A.L. et al. Can we rationally design promiscuous drugs? Curr. Opin. Struct. Biol. 2006, 16, 127-136, doi:10.1016/j.sbi.2006.01.013. [26]	332