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Exploration of 3D Activity Cliffs on the Basis of Compound Binding Modes and Comparison of 2D and 3D Cliffs
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/cmdc.201100179openalex-snapshot
From Activity Cliffs to Target‐Specific Scoring Models and Pharmacophore Hypotheses
inferredcites →https://doi.org/10.1016/j.chembiol.2007.03.011openalex-snapshot
Molecular Similarity Analysis Uncovers Heterogeneous Structure-Activity Relationships and Variable Activity Landscapes
inferredcites →https://doi.org/10.1016/j.drudis.2009.04.003openalex-snapshot
Navigating structure–activity landscapes
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci100091eopenalex-snapshot
Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs
inferredcites →https://doi.org/10.1021/ci1001845openalex-snapshot
Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets
inferredcites →https://doi.org/10.1021/ci200054uopenalex-snapshot
Single R-Group Polymorphisms (SRPs) and R-Cliffs: An Intuitive Framework for Analyzing and Visualizing Activity Cliffs in a Single Analog Series
inferredcites →https://doi.org/10.1021/ci2002473openalex-snapshot
From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis
inferredcites →https://doi.org/10.1021/ci2004434openalex-snapshot
Assessing the Confidence Level of Public Domain Compound Activity Data and the Impact of Alternative Potency Measurements on SAR Analysis
inferredcites →https://doi.org/10.1021/ci800379qopenalex-snapshot
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
inferredcites →https://doi.org/10.1021/ci900243aopenalex-snapshot
Structural Interpretation of Activity Cliffs Revealed by Systematic Analysis of Structure−Activity Relationships in Analog Series
inferredcites →https://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm201706bopenalex-snapshot
Exploring Activity Cliffs in Medicinal Chemistry
inferredcites →https://doi.org/10.1021/jm800867gopenalex-snapshot
Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1111/j.1747-0285.2011.01150.xopenalex-snapshot
Comprehensive Analysis of Single‐ and Multi‐Target Activity Cliffs Formed by Currently Available Bioactive Compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.201200078openalex-snapshot
Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps
inferred← citeshttps://doi.org/10.1002/minf.201600092openalex-snapshot
Hierarchical Analysis of Bioactive Matched Molecular Pairs, Encoded Chemical Transformations, and Associated Substructures
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot
Quantitative Structure-Epigenetic Activity Relationships
inferred← citeshttps://doi.org/10.1007/s10822-012-9632-4openalex-snapshot
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12353-4openalex-snapshot
Lessons and Successes in the Use of Molecular Fields
inferred← citeshttps://doi.org/10.1016/bs.apcsb.2014.06.001openalex-snapshot
The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein–Ligand and Protein–Protein Interactions Landscapes for Drug Discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.02.003openalex-snapshot
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
inferred← citeshttps://doi.org/10.1016/j.jare.2025.04.046openalex-snapshot
AMPCliff: Quantitative definition and benchmarking of activity cliffs in antimicrobial peptides
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00129openalex-snapshot
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation
inferred← citeshttps://doi.org/10.1021/ci300158vopenalex-snapshot
Systematic Identification and Classification of Three-Dimensional Activity Cliffs
inferred← citeshttps://doi.org/10.1021/ci300274copenalex-snapshot
Extending the Activity Cliff Concept: Structural Categorization of Activity Cliffs and Systematic Identification of Different Types of Cliffs in the ChEMBL Database
inferred← citeshttps://doi.org/10.1021/ci400597dopenalex-snapshot
Prediction of Individual Compounds Forming Activity Cliffs Using Emerging Chemical Patterns
inferred← citeshttps://doi.org/10.1021/ci500012nopenalex-snapshot
Quantitative Structure–Activity Relationship Models of Chemical Transformations from Matched Pairs Analyses
inferred← citeshttps://doi.org/10.1021/ci500742bopenalex-snapshot
Structure-Based Predictions of Activity Cliffs
inferred← citeshttps://doi.org/10.1021/jm401120gopenalex-snapshot
Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/jm5009264openalex-snapshot
Comprehensive Analysis of Three-Dimensional Activity Cliffs Formed by Kinase Inhibitors with Different Binding Modes and Cliff Mapping of Structural Analogues
inferred← citeshttps://doi.org/10.1039/9781782623731-00120openalex-snapshot
Chemical Similarity, Shape Matching and QSAR
inferred← citeshttps://doi.org/10.1039/c5ra01730kopenalex-snapshot
Identification and analysis of the currently available high-confidence three-dimensional activity cliffs
inferred← citeshttps://doi.org/10.1039/c5ra01732gopenalex-snapshot
Extension of three-dimensional activity cliff information through systematic mapping of active analogs
inferred← citeshttps://doi.org/10.1111/cbdd.12115openalex-snapshot
Activity Cliffs: Facts or Artifacts?
inferred← citeshttps://doi.org/10.1111/cbdd.12605openalex-snapshot
Identification of Interaction Hot Spots in Structures of Drug Targets on the Basis of Three‐Dimensional Activity Cliff Information
inferred← citeshttps://doi.org/10.1145/3770855.3819046openalex-snapshot
Incorporating 3D Structural Information for Activity Cliff Analysis
inferred← citeshttps://doi.org/10.12688/f1000research.2-199.v1openalex-snapshot
Advancing the activity cliff concept
inferred← citeshttps://doi.org/10.4155/fmc.15.51openalex-snapshot
Activity and Property Landscape Modeling is at the Interface of Chemoinformatics and Medicinal Chemistry
inferred← citeshttps://doi.org/10.60084/hjas.v4i2.462openalex-snapshot
Activity Cliffs and Machine Learning Generalization in QSAR: Why Similar Molecules Remain Difficult to Predict
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