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Journal of Computer-Aided Molecular Design|March 7, 2016
Lessons learned from the design of chemical space networks and opportunities for new applicationsMartin Vogt, Dagmar Stumpfe, Gerald M Maggiora, et al.Journal of Chemical Information and Modeling|June 25, 2013
Conditional probabilities of activity landscape features for individual compoundsMartin Vogt, Preeti Iyer, Gerald M Maggiora, et al.Chemical Biology & Drug Design|August 3, 2006
Hierarchical strategy for identifying active chemotype classes in compound databasesJosé Luis Medina-Franco, Joachim Petit, Gerald M MaggioraJournal of Computer-Aided Molecular Design|December 24, 2015
Design of chemical space networks on the basis of Tversky similarityMengjun Wu, Martin Vogt, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|December 4, 2014
Design and characterization of chemical space networks for different compound data setsMagdalena Zwierzyna, Martin Vogt, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|June 8, 2015
Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarityBijun Zhang, Martin Vogt, Gerald M Maggiora, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Data shaving: a focused screening approachSuzanne K Schreyer, Christian N Parker, Gerald M MaggioraJournal of Computer-Aided Molecular Design|October 1, 2015
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructuresBijun Zhang, Martin Vogt, Gerald M Maggiora, et al.Mini Reviews in Medicinal Chemistry|August 19, 2007
Large compound databases for structure-activity relationships studies in drug discoveryThomas Scior, Philippe Bernard, José Luis Medina-Franco, et al.Journal of Biomolecular Screening|September 20, 2005
Evaluating the high-throughput screening computationsPaula Therese Lang, Irwin D Kuntz, Gerald M Maggiora, et al.Pageof 11