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Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport

https://doi.org/10.1021/ci0601160
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What this work says

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

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Evaluation of Gene Structure Prediction Programs
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An Introduction To Chemoinformatics
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Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data
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Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
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Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
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k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory and Applications
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Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
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Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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Chemical Similarity Searching
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Scaffold Hopping through Virtual Screening Using 2D and 3D Similarity Descriptors: Ranking, Voting, and Consensus Scoring
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Random Forests
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Molecular similarity: a key technique in molecular informatics
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A fair method for resetting the target in interrupted one-day cricket matches
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Detection of anabolic steroids by radioimmunoassay.
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Tetrahydrogestrinone Is a Potent Androgen and Progestin
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Recent Advances on the Role of Topological Indices in Drug Discovery Research
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3-D Pharmacophores in Drug Discovery
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An introduction to chemoinformatics

What points at this work

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

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Similarity methods in chemoinformatics
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Chemoinformatics‐Based Classification of Prohibited Substances Employed for Doping in Sport.
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Machine learning methods in chemoinformatics
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Classifying the World Anti-Doping Agency’s 2005 Prohibited List Using the Chemistry Development Kit Fingerprint
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Models for anti-inflammatory activity of 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles
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Process Intensification on the Supercritical Carbon Dioxide Extraction of Low-Concentration Ethanol from Aqueous Solutions
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Informatics, Machine Learning and Computational Medicinal Chemistry
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