On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?

Activity Cliffs: Facts or Artifacts?

(2013) José L. Medina-Franco   Chemical Biology & Drug Design

SAR Transfer across Different Targets

(2013) Bijun Zhang et al.   Journal of Chemical Information and Modeling

Combination of Similarity Rankings Using Data Fusion

(2013) Peter Willett   Journal of Chemical Information and Modeling

Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry

(2013) Dagmar Stumpfe et al.   JOURNAL OF MEDICINAL CHEMISTRY

Modeling of activity landscapes for drug discovery

(2012) Jürgen Bajorath   Expert Opinion on Drug Discovery

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

(2012) Rajarshi Guha   Journal of Chemical Information and Modeling

Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

(2012) José L. Medina-Franco   Journal of Chemical Information and Modeling

Exploring Activity Cliffs in Medicinal Chemistry

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

Exploring structure-activity data using the landscape paradigm

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

Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets

(2011) Jacob Waddell et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Antiprotozoal activity of proton-pump inhibitors

(2011) Jaime Pérez-Villanueva et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions

(2011) Dilyana Dimova et al.   Journal of Chemical Information and Modeling

SAR Monitoring of Evolving Compound Data Sets Using Activity Landscapes

(2011) Preeti Iyer et al.   Journal of Chemical Information and Modeling

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations

(2011) Austin B. Yongye et al.   Journal of Chemical Information and Modeling

Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis

(2010) Francisco Hernández-Luis et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

How similar are those molecules after all? Use two descriptors and you will have three different answers

(2010) Andreas Bender   Expert Opinion on Drug Discovery

Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets

(2010) Anne Mai Wassermann et al.   Journal of Chemical Information and Modeling

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

(2010) Madhavi Sastry et al.   Journal of Chemical Information and Modeling

Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps

(2010) Jaime Pérez-Villanueva et al.   MedChemComm

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

Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape

(2008) Rajarshi Guha et al.   Journal of Chemical Information and Modeling

Structure−Activity Landscape Index:  Identifying and Quantifying Activity Cliffs

(2008) Rajarshi Guha et al.   Journal of Chemical Information and Modeling