Abstract
Bioactive molecules such as drugs, pesticides and food additives are produced in large numbers by many commercial and academic groups around the world. Enormous quantities of data are generated on the biological properties and quality of these molecules. Access to such data — both on licensed and commercially available compounds, and also on those that fail during development — is crucial for understanding how improved molecules could be developed. For example, computational analysis of aggregated data on molecules that are investigated in drug discovery programmes has led to a greater understanding of the properties of successful drugs. However, the information required to perform these analyses is rarely published, and when it is made available it is often missing crucial data or is in a format that is inappropriate for efficient data-mining. Here, we propose a solution: the definition of reporting guidelines for bioactive entities — the Minimum Information About a Bioactive Entity (MIABE) — which has been developed by representatives of pharmaceutical companies, data resource providers and academic groups.
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Acknowledgements
This work has, in part, been funded by the European Commission under the Proteomics Standards Initiative and International Molecular Exchange (PSIMEx), contract number FP7-HEALTH-2007-223411.
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Supplementary information
Supplementary information Table S1
Sample MIABE file exemplifying data extracted from PMID: 20568778 (PDF 423 kb)
Supplementary information Table S2
Binding affinity to human ERG (XML 45 kb)
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Orchard, S., Al-Lazikani, B., Bryant, S. et al. Minimum information about a bioactive entity (MIABE). Nat Rev Drug Discov 10, 661–669 (2011). https://doi.org/10.1038/nrd3503
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DOI: https://doi.org/10.1038/nrd3503
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