Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs

Lisa Peltason, Preeti Iyer, J├╝rgen Bajorath. Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs. Journal of Chemical Information and Computer Sciences, 50(6):1021-1033, 2010. [doi]

Abstract

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