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Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"Jones G.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1001","DOI":"10.1007\/s11095-008-9809-7","volume":"26","author":"Kortagere S.","year":"2009","journal-title":"Pharm. Res."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","volume":"46","author":"Lipinski C. A.","year":"2001","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"669","DOI":"10.2174\/1386207043328319","volume":"7","author":"Haggarty S. J.","year":"2004","journal-title":"Comb. Chem. 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