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Estimating Error Rates in Bioactivity Databases
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemoinformatics in Drug Discovery
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The European Bioinformatics Institute
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The National Center for Biotechnology Information
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A quality alert and call for improved curation of public chemistry databases
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Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
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Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
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Analysis of Commercial and Public Bioactivity Databases
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The Experimental Uncertainty of Heterogeneous Public Ki Data
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Compound bioactivities go public
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Minimum information about a bioactive entity (MIABE)
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ChEMBL: a large-scale bioactivity database for drug discovery
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Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
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Global Analysis of Small Molecule Binding to Related Protein Targets
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Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics
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QSARs, Data and Error in the Modern Age of Drug Discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Excuse me, there is a mutant in my bioactivity soup!A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling
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Probabilistic Random Forest Improves Bioactivity Predictions Close to the Classification Threshold by Taking into Account Experimental Uncertainty
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Additional file 1 of Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty
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Additional file 2 of Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty
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Additional file 1 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Additional file 2 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Additional file 3 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Additional file 4 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Additional file 5 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Additional file 6 of A new workflow for the effective curation of membrane permeability data from open ADME information
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Pharmacological Stratification of Public Bioactivity Databases: A Reusable, OECD-Anchored Curation and Benchmarking Framework Demonstrated for Opioid Receptors
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