Lead optimization attrition analysis (LOAA): a novel and general methodology for medicinal chemistry. Issue 8 (August 2015)

• Record Type: Journal Article
• Authors: Munson, Mark; Lieberman, Harvey; Tserlin, Elina; Rocnik, Jennifer; Ge, Jie; Fitzgerald, Maria; Patel, Vinod; Garcia-Echeverria, Carlos
• Is Part Of: Drug discovery today. Volume 20:Issue 8(2015)
• Page Start: 978
• Page End: 987
• Publication Date: 2015-08
• Subjects: Drugs -- Design -- Periodicals; Drugs -- Research -- Periodicals; 615.1
• DOI: 10.1016/j.drudis.2015.03.010
• Languages: English
• ISSNs: 1359-6446

Abstract

<abstract abstract-type="author-highlights" id="abs0005"> <title id="sect0005">Highlights</title> <sec> <p id="spar0005"> <list id="lis0005"> <list-item id="lsti0005"> <label></label> <p id="par0005">Attrition rate difference not readily anticipated based on individual parameters.</p> </list-item> <list-item id="lsti0010"> <label></label> <p id="par0010">Differentiation of series was <italic>significant</italic> when ADME parameters were included.</p> </list-item> <list-item id="lsti0015"> <label></label> <p id="par0015">Percentage versus compound numbers meeting criteria provided graphical overview.</p> </list-item> <list-item id="lsti0020"> <label></label> <p id="par0020">Steep decline (0 of 493 compounds) meeting 17/28 parameters – Series A fragile.</p> </list-item> <list-item id="lsti0025"> <label></label> <p id="par0025">Shallow decline (21 of 504 compounds) meeting 17/28 parameters – Series B robust.</p> </list-item> </list> </p> </sec> </abstract>