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R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method

https://doi.org/10.1021/ci060013h
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What this work says

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

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Benzo[c]quinolizin-3-ones Theoretical Investigation: SAR Analysis and Application to Nontested Compounds
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Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
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Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis
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Derivation and Validation of Toxicophores for Mutagenicity Prediction
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Hit-Directed Nearest-Neighbor Searching
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“Lead Hopping”. Validation of Topomer Similarity as a Superior Predictor of Similar Biological Activities
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IcePick: A Flexible Surface-Based System for Molecular Diversity
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Drug Delivery Systems: Entering the Mainstream
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What points at this work

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

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inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_17openalex-snapshot
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A new concept of higher-order similarity and the role of distance/similarity measures in local classification methods
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Counting Clusters Using R-NN Curves
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Impact of Benchmark Data Set Topology on the Validation of Virtual Screening Methods: Exploration and Quantification by Spatial Statistics
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Definition and Detection of Outliers in Chemical Space
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Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
inferred← citeshttps://doi.org/10.1021/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1253611openalex-snapshot
An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling
inferred← citeshttps://doi.org/10.1108/ijicc-07-2015-0024openalex-snapshot
Combined data mining techniques based patient data outlier detection for healthcare safety
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00579.xopenalex-snapshot
A Similarity‐based Data‐fusion Approach to the Visual Characterization and Comparison of Compound Databases
inferred← citeshttps://doi.org/10.1186/s40537-025-01091-zopenalex-snapshot
The Standard Deviation Score: a novel similarity metric for data analysis
inferred← citeshttps://doi.org/10.18637/jss.v018.i05openalex-snapshot
Chemical Informatics Functionality in R
inferred← citeshttps://doi.org/10.31390/gradschool_dissertations.1544openalex-snapshot
Integrated Model-Centric Decision Support System for Process Industries
inferred← citeshttps://doi.org/10.3233/ci-2008-0015openalex-snapshot
Improving Usability and Accessibility of Cheminformatics Tools for Chemists through Cyberinfrastructure and Education
inferred← citeshttps://doi.org/10.70675/763f9808zf2fez469ezba2cz56622b867580openalex-snapshot
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