Activity Cliffs: Facts or Artifacts?

Expanding the medicinally relevant chemical space with compound libraries

(2012) Fabian López-Vallejo et al.   DRUG DISCOVERY TODAY

Modeling of activity landscapes for drug discovery

(2012) Jürgen Bajorath   Expert Opinion on Drug Discovery

Using Novel Descriptor Accounting for Ligand–Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical Space

(2012) Obdulia Rabal et al.   Journal of Chemical Information and Modeling

Prediction of Activity Cliffs Using Support Vector Machines

(2012) Kathrin Heikamp et al.   Journal of Chemical Information and Modeling

Exploration of 3D Activity Cliffs on the Basis of Compound Binding Modes and Comparison of 2D and 3D Cliffs

(2012) Ye Hu et al.   Journal of Chemical Information and Modeling

Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds

(2012) Austin B. Yongye et al.   Journal of Chemical Information and Modeling

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs

(2012) Xiaoying Hu et al.   Journal of Chemical Information and Modeling

Exploring Uncharted Territories: Predicting Activity Cliffs in Structure–Activity Landscapes

(2012) Rajarshi Guha   Journal of Chemical Information and Modeling

Exploring Activity Cliffs in Medicinal Chemistry

(2012) Dagmar Stumpfe et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps

(2012) Oscar Méndez-Lucio et al.   Molecular Informatics

Exploring structure-activity data using the landscape paradigm

(2012) Rajarshi Guha   Wiley Interdisciplinary Reviews-Computational Molecular Science

Comprehensive Analysis of Single- and Multi-Target Activity Cliffs Formed by Currently Available Bioactive Compounds

(2011) Anne M. Wassermann et al.   Chemical Biology & Drug Design

Evolution of the physicochemical properties of marketed drugs: can history foretell the future?

(2011) Bernard Faller et al.   DRUG DISCOVERY TODAY

Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives

(2010) Jaime Pérez-Villanueva et al.   BIOORGANIC & MEDICINAL CHEMISTRY

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

(2010) Lisa Peltason et al.   Journal of Chemical Information and Modeling

Classification of Organic Molecules by Molecular Quantum Numbers

(2009) Kong T. Nguyen et al.   ChemMedChem

Characterization of Activity Landscapes Using 2D and 3D Similarity Methods:Consensus Activity Cliffs

(2009) Jose L. Medina-Franco et al.   Journal of Chemical Information and Modeling

The impact of natural products upon modern drug discovery

(2008) A Ganesan   CURRENT OPINION IN CHEMICAL BIOLOGY