Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries (pages 328–342)
Fabian López-Vallejo, Adel Nefzi, Andreas Bender, John R. Owen, Ian T. Nabney, Richard A. Houghten and José L. Medina-Franco
Article first published online: 1 MAR 2011 | DOI: 10.1111/j.1747-0285.2011.01100.x
We conducted a comprehensive chemoinformatic analysis of combinatorial libraries obtained from “libraries from libraries”, a diversity-oriented synthesis (DOS) approach. It is demonstrated that libraries from libraries generates compounds truly diverse in both structural and property space. The approaches presented here are general and can be applied to assess the diversity of any other DOS library, or any other compound collection.