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Ye Hu, Norbert Furtmann, Michael Gütschow, Jürgen Bajorath. Systematic Identification and Classification of Three-Dimensional Activity Cliffs. Journal of Chemical Information and Computer Sciences, 52(6):1490-1498, 2012. [doi]
Possibly Related PublicationsThe following publications are possibly variants of this publication: MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular PairsXiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. jcisd, 52(5):1138-1145, 2012. [doi] Extending the Activity Cliff Concept: Structural Categorization of Activity Cliffs and Systematic Identification of Different Types of Cliffs in the ChEMBL DatabaseYe Hu, Jürgen Bajorath. jcisd, 52(7):1806-1811, 2012. [doi]
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