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Chemical Biology & Drug Design|September 8, 2011
Representation of multi-target activity landscapes through target pair-based compound encoding in self-organizing mapsPreeti Iyer, Jürgen BajorathChemical Biology & Drug Design|October 12, 2011
Exploring SAR continuity in the vicinity of activity cliffsVigneshwaran Namasivayam, Preeti Iyer, Jürgen BajorathJournal of Chemical Information and Modeling|June 8, 2011
Extraction of discontinuous structure-activity relationships from compound data sets through particle swarm optimizationVigneshwaran Namasivayam, Preeti Iyer, Jürgen BajorathJournal of Chemical Information and Modeling|February 17, 2011
SAR monitoring of evolving compound data sets using activity landscapesPreeti Iyer, Ye Hu, Jürgen BajorathJournal of Chemical Information and Modeling|May 7, 2010
Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffsLisa Peltason, Preeti Iyer, Jürgen BajorathJournal of Chemical Information and Modeling|May 10, 2011
Molecular mechanism-based network-like similarity graphs reveal relationships between different types of receptor ligands and structural changes that determine agonistic, inverse-agonistic, and antagonistic effectsPreeti Iyer, Dagmar Stumpfe, Jürgen BajorathJournal of Chemical Information and Modeling|December 6, 2013
Prediction of individual compounds forming activity cliffs using emerging chemical patternsVigneshwaran Namasivayam, Preeti Iyer, Jürgen BajorathJournal of Chemical Information and Modeling|July 17, 2012
Navigating high-dimensional activity landscapes: design and application of the ligand-target differentiation mapPreeti Iyer, Dilyana Dimova, Martin Vogt, 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.Journal of Chemical Information and Modeling|February 1, 2013
Predicting potent compounds via model-based global optimizationMohsen Ahmadi, Martin Vogt, Preeti Iyer, et al.Pageof 55