Minimum information about a bioactive entity (MIABE)

Sandra Orchard; Bissan Al-Lazikani; Steve Bryant; Dominic Clark; Elizabeth Calder; Ian Dix; Ola Engkvist; Mark Forster; Anna Gaulton; Michael Gilson; Robert Glen; Martin Grigorov; Kim Hammond-Kosack; Lee Harland; Andrew Hopkins; Christopher Larminie; Nick Lynch; Romeena K. Mann; Peter Murray-Rust; Elena Lo Piparo; Christopher Southan; Christoph Steinbeck; David Wishart; Henning Hermjakob; John Overington; Janet Thornton

doi:10.1038/nrd3503

Minimum information about a bioactive entity (MIABE)

Sandra Orchard, Bissan Al-Lazikani, Steve Bryant, Dominic Clark, Elizabeth Calder, Ian Dix, Ola Engkvist, Mark Forster, Anna Gaulton, Michael Gilson, Robert Glen, Martin Grigorov, Kim Hammond-Kosack, Lee Harland, Andrew Hopkins, Christopher Larminie, Nick Lynch, Romeena K. Mann, Peter Murray-Rust, Elena Lo PiparoChristopher Southan, Christoph Steinbeck, David Wishart, Henning Hermjakob, John Overington, Janet Thornton

Research output: Contribution to journal › Review article › peer-review

74 Citations (Scopus)

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.

Original language	English
Pages (from-to)	661-669
Number of pages	9
Journal	Nature Reviews Drug Discovery
Volume	10
Issue number	9
DOIs	https://doi.org/10.1038/nrd3503
Publication status	Published - Sept 2011

Keywords

BINDING-SITES
DRUGGABILITY
ONTOLOGY
DATABASE
GENOME

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10.1038/nrd3503

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Orchard, S., Al-Lazikani, B., Bryant, S., Clark, D., Calder, E., Dix, I., Engkvist, O., Forster, M., Gaulton, A., Gilson, M., Glen, R., Grigorov, M., Hammond-Kosack, K., Harland, L., Hopkins, A., Larminie, C., Lynch, N., Mann, R. K., Murray-Rust, P., ... Thornton, J. (2011). Minimum information about a bioactive entity (MIABE). Nature Reviews Drug Discovery, 10(9), 661-669. https://doi.org/10.1038/nrd3503

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title = "Minimum information about a bioactive entity (MIABE)",

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.",

keywords = "BINDING-SITES, DRUGGABILITY, ONTOLOGY, DATABASE, GENOME",

author = "Sandra Orchard and Bissan Al-Lazikani and Steve Bryant and Dominic Clark and Elizabeth Calder and Ian Dix and Ola Engkvist and Mark Forster and Anna Gaulton and Michael Gilson and Robert Glen and Martin Grigorov and Kim Hammond-Kosack and Lee Harland and Andrew Hopkins and Christopher Larminie and Nick Lynch and Mann, {Romeena K.} and Peter Murray-Rust and {Lo Piparo}, Elena and Christopher Southan and Christoph Steinbeck and David Wishart and Henning Hermjakob and John Overington and Janet Thornton",

year = "2011",

month = sep,

doi = "10.1038/nrd3503",

language = "English",

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pages = "661--669",

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Orchard, S, Al-Lazikani, B, Bryant, S, Clark, D, Calder, E, Dix, I, Engkvist, O, Forster, M, Gaulton, A, Gilson, M, Glen, R, Grigorov, M, Hammond-Kosack, K, Harland, L, Hopkins, A, Larminie, C, Lynch, N, Mann, RK, Murray-Rust, P, Lo Piparo, E, Southan, C, Steinbeck, C, Wishart, D, Hermjakob, H, Overington, J & Thornton, J 2011, 'Minimum information about a bioactive entity (MIABE)', Nature Reviews Drug Discovery, vol. 10, no. 9, pp. 661-669. https://doi.org/10.1038/nrd3503

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T1 - Minimum information about a bioactive entity (MIABE)

AU - Orchard, Sandra

AU - Al-Lazikani, Bissan

AU - Bryant, Steve

AU - Clark, Dominic

AU - Calder, Elizabeth

AU - Dix, Ian

AU - Engkvist, Ola

AU - Forster, Mark

AU - Gaulton, Anna

AU - Gilson, Michael

AU - Glen, Robert

AU - Grigorov, Martin

AU - Hammond-Kosack, Kim

AU - Harland, Lee

AU - Hopkins, Andrew

AU - Larminie, Christopher

AU - Lynch, Nick

AU - Mann, Romeena K.

AU - Murray-Rust, Peter

AU - Lo Piparo, Elena

AU - Southan, Christopher

AU - Steinbeck, Christoph

AU - Wishart, David

AU - Hermjakob, Henning

AU - Overington, John

AU - Thornton, Janet

PY - 2011/9

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N2 - 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.

AB - 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.

KW - BINDING-SITES

KW - DRUGGABILITY

KW - ONTOLOGY

KW - DATABASE

KW - GENOME

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DO - 10.1038/nrd3503

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VL - 10

SP - 661

EP - 669

JO - Nature Reviews Drug Discovery

JF - Nature Reviews Drug Discovery

IS - 9

ER -

Minimum information about a bioactive entity (MIABE)

Abstract

Keywords

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