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最小化生物活性实体信息(MIABE)。

Minimum information about a bioactive entity (MIABE).

机构信息

(EMBL)-European Bioinformatics Institute, Wellcome Trust Genome Campus, Cambridge CB10 1SD, UK.

出版信息

Nat Rev Drug Discov. 2011 Aug 31;10(9):661-9. doi: 10.1038/nrd3503.

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.

摘要

生物活性分子,如药物、农药和食品添加剂,在全球范围内有许多商业和学术团体大量生产。这些分子的生物特性和质量产生了大量的数据。获取这些数据对于了解如何开发改进的分子至关重要——既有关于已获得许可和商业销售的化合物的数据,也有关于在开发过程中失败的化合物的数据。例如,对药物发现计划中研究的分子的聚合数据进行计算分析,使人们对成功药物的特性有了更深入的了解。然而,进行这些分析所需的信息很少被发表,即使发表了,通常也缺少关键数据,或者格式不适合有效的数据挖掘。在这里,我们提出了一个解决方案:定义生物活性实体的报告指南——生物活性实体最小信息(MIABE),该指南由制药公司、数据资源提供商和学术团体的代表制定。

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