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Scaffold topologies. 2. Analysis of chemical databases.
Wester MJ, Pollock SN, Coutsias EA, Allu TK, Muresan S, Oprea TI. Wester MJ, et al. J Chem Inf Model. 2008 Jul;48(7):1311-24. doi: 10.1021/ci700342h. Epub 2008 Jul 8. J Chem Inf Model. 2008. PMID: 18605681 Free PMC article.
Novel chemical space exploration via natural products.
Rosén J, Gottfries J, Muresan S, Backlund A, Oprea TI. Rosén J, et al. J Med Chem. 2009 Apr 9;52(7):1953-62. doi: 10.1021/jm801514w. J Med Chem. 2009. PMID: 19265440 Free PMC article.