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Graph Mining for SAR Transfer Series

https://doi.org/10.1021/ci300071y
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1521-3773(20010917)40:18<3341::aid-anie3341>3.0.co;2-dopenalex-snapshot
Medicinal Chemistry: Challenges and Opportunities
inferredcites →https://doi.org/10.1002/3527603743.ch11openalex-snapshot
Structure Modification in Chemical Databases
inferredcites →https://doi.org/10.1016/b978-0-12-374194-3.x0001-7openalex-snapshot
The Practice of Medicinal Chemistry
inferredcites →https://doi.org/10.1016/j.drudis.2010.06.004openalex-snapshot
Data structures and computational tools for the extraction of SAR information from large compound sets
inferredcites →https://doi.org/10.1021/ci200254kopenalex-snapshot
A Data Mining Method To Facilitate SAR Transfer
inferredcites →https://doi.org/10.1021/ci900450mopenalex-snapshot
Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm200026bopenalex-snapshot
Local Structural Changes, Global Data Views: Graphical Substructure−Activity Relationship Trailing
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9781118742785.ch10openalex-snapshot
EXPLORATION OF STRUCTURE–ACTIVITY RELATIONSHIPS (SARs) AND TRANSFER OF KEY ELEMENTS IN LEAD OPTIMIZATION
inferred← citeshttps://doi.org/10.1002/9783527840748.ch17openalex-snapshot
SAR Knowledge Bases for Driving Drug Discovery
inferred← citeshttps://doi.org/10.1002/ddr.21045openalex-snapshot
Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis
inferred← citeshttps://doi.org/10.1002/minf.201300076openalex-snapshot
Using Graph Indices for the Analysis and Comparison of Chemical Datasets
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114558openalex-snapshot
Computational method for the systematic alignment of analogue series with structure-activity relationship transfer potential across different targets
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00269openalex-snapshot
Matched Molecular Series Analysis for ADME Property Prediction
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01931openalex-snapshot
Computational Method for Structure-Based Analysis of SAR Transfer
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch015openalex-snapshot
How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space
inferred← citeshttps://doi.org/10.1021/ci300206eopenalex-snapshot
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets
inferred← citeshttps://doi.org/10.1021/ci300481dopenalex-snapshot
Systematic Assessment of Compound Series with SAR Transfer Potential
inferred← citeshttps://doi.org/10.1021/ci400265bopenalex-snapshot
SAR Transfer across Different Targets
inferred← citeshttps://doi.org/10.1021/jm500022qopenalex-snapshot
Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity
inferred← citeshttps://doi.org/10.3390/molecules26175291openalex-snapshot
Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications
inferred← citeshttps://doi.org/10.4155/fmc-2016-0203openalex-snapshot
Practical Applications of Matched Series Analysis: Sar Transfer, Binding Mode Suggestion and Data Point Validation
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