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Methods in Molecular Biology (Clifton, N.J.)|September 15, 2010
The scaffold tree: an efficient navigation in the scaffold universePeter Ertl, Ansgar Schuffenhauer, Steffen RennerJournal of Chemical Information and Modeling|May 28, 2011
Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening dataThibault Varin, Ansgar Schuffenhauer, Peter Ertl, et al.Progress in Drug Research. Fortschritte Der Arzneimittelforschung. Progres Des Recherches Pharmaceutiques|April 18, 2008
Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugsPeter Ertl, Ansgar SchuffenhauerJournal of Cheminformatics|March 20, 2010
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributionsPeter Ertl, Ansgar SchuffenhauerJournal of Chemical Information and Modeling|November 24, 2007
Natural product-likeness score and its application for prioritization of compound librariesPeter Ertl, Silvio Roggo, Ansgar SchuffenhauerCurrent Opinion in Chemical Biology|June 9, 2005
Complex molecules: do they add value?Paul Selzer, Hans-Jörg Roth, Peter Ertl, et al.Journal of Medicinal Chemistry|July 21, 2006
Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffoldsPeter Ertl, Stephen Jelfs, Jörg Mühlbacher, et al.Journal of Chemical Information and Modeling|March 28, 2006
Relationships between Molecular Complexity, Biological Activity, and Structural DiversityAnsgar Schuffenhauer, Nathan Brown, Paul Selzer, et al.Journal of Chemical Information and Modeling|January 24, 2007
The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classificationAnsgar Schuffenhauer, Peter Ertl, Silvio Roggo, et al.Journal of Chemical Information and Modeling|February 9, 2007
Clustering and rule-based classifications of chemical structures evaluated in the biological activity spaceAnsgar Schuffenhauer, Nathan Brown, Peter Ertl, et al.Pageof 23