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BDDCS applied to over 900 drugs.
Benet LZ, Broccatelli F, Oprea TI. Benet LZ, et al. AAPS J. 2011 Dec;13(4):519-47. doi: 10.1208/s12248-011-9290-9. Epub 2011 Aug 5. AAPS J. 2011. PMID: 21818695 Free PMC article.
Of possible cheminformatics futures.
Oprea TI, Taboureau O, Bologa CG. Oprea TI, et al. J Comput Aided Mol Des. 2012 Jan;26(1):107-12. doi: 10.1007/s10822-011-9535-9. Epub 2011 Dec 30. J Comput Aided Mol Des. 2012. PMID: 22207193
BDDCS class prediction for new molecular entities.
Broccatelli F, Cruciani G, Benet LZ, Oprea TI. Broccatelli F, et al. Mol Pharm. 2012 Mar 5;9(3):570-80. doi: 10.1021/mp2004302. Epub 2012 Feb 7. Mol Pharm. 2012. PMID: 22224483 Free PMC article.