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SAR Monitoring of Evolving Compound Data Sets Using Activity Landscapes
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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/spe.4380211102openalex-snapshot
Graph drawing by force‐directed placement
inferredcites →https://doi.org/10.1016/s1359-6446(99)01373-2openalex-snapshot
Visual exploration of HTS databases: bridging the gap between chemistry and biology
inferredcites →https://doi.org/10.1021/ci0000631openalex-snapshot
LeadScope: Software for Exploring Large Sets of Screening Data
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/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferredcites →https://doi.org/10.1021/jm0400101openalex-snapshot
Control of Hepatitis C: A Medicinal Chemistry Perspective
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/jm0705713openalex-snapshot
SAR Index: Quantifying the Nature of Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
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/10.1021/jm8014102openalex-snapshot
Elucidation of Structure−Activity Relationship Pathways in Biological Screening Data
inferredcites →https://doi.org/10.1021/jm900817uopenalex-snapshot
Three-Dimensional Pharmacophore Methods in Drug Discovery
inferredcites →https://doi.org/10.1021/jm900818sopenalex-snapshot
Molecular Shape and Medicinal Chemistry: A Perspective
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1111/j.1745-3984.2003.tb01108.xopenalex-snapshot
Modern Multidimensional Scaling: Theory and Applications
inferredcites →https://doi.org/10.1385/1-59259-802-1:131openalex-snapshot
Methods for Applying the Quantitative Structure-Activity Relationship Paradigm
inferredcites →https://doi.org/10.4155/fmc.09.41openalex-snapshot
Systematic Computational Analysis of Structure–Activity Relationships: Concepts, Challenges and Recent Advances
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527665143.ch03openalex-snapshot
Scaffold Diversity in Medicinal Chemistry Space
inferred← citeshttps://doi.org/10.1002/ange.201105156openalex-snapshot
Neighborhood‐Preserving Visualization of Adaptive Structure–Activity Landscapes: Application to Drug Discovery
inferred← citeshttps://doi.org/10.1002/anie.201105156openalex-snapshot
Neighborhood‐Preserving Visualization of Adaptive Structure–Activity Landscapes: Application to Drug Discovery
inferred← citeshttps://doi.org/10.1002/minf.201700048openalex-snapshot
Network‐based Approaches in Pharmacology
inferred← citeshttps://doi.org/10.1002/minf.202000046openalex-snapshot
From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method
inferred← citeshttps://doi.org/10.1007/978-3-030-32857-3_1openalex-snapshot
Revisiting the Concept of Human Disease
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot
Quantitative Structure-Epigenetic Activity Relationships
inferred← citeshttps://doi.org/10.1007/s10822-020-00349-3openalex-snapshot
DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology
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.jmgm.2011.12.006openalex-snapshot
Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2013.01.016openalex-snapshot
Structure and dynamics of molecular networks: A novel paradigm of drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01428openalex-snapshot
Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b01626openalex-snapshot
Computational Method to Evaluate Progress in Lead Optimization
inferred← citeshttps://doi.org/10.1021/acsomega.8b02087openalex-snapshot
Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions
inferred← citeshttps://doi.org/10.1039/c7ra13748fopenalex-snapshot
Computational method for estimating progression saturation of analog series
inferred← citeshttps://doi.org/10.1080/17460441.2018.1465926openalex-snapshot
Progress with modeling activity landscapes in drug discovery
inferred← citeshttps://doi.org/10.1186/1752-0509-9-s3-s4openalex-snapshot
DT-Web: a web-based application for drug-target interaction and drug combination prediction through domain-tuned network-based inference
inferred← citeshttps://doi.org/10.1186/1758-2946-6-11openalex-snapshot
On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?
inferred← citeshttps://doi.org/10.1517/17460441.2012.679616openalex-snapshot
Modeling of activity landscapes for drug discovery
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