National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA.
Nucleic Acids Res. 2010 Jan;38(Database issue):D255-66. doi: 10.1093/nar/gkp965. Epub 2009 Nov 19.
The PubChem BioAssay database (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological activities of small molecules and small interfering RNAs (siRNAs) hosted by the US National Institutes of Health (NIH). It archives experimental descriptions of assays and biological test results and makes the information freely accessible to the public. A PubChem BioAssay data entry includes an assay description, a summary and detailed test results. Each assay record is linked to the molecular target, whenever possible, and is cross-referenced to other National Center for Biotechnology Information (NCBI) database records. 'Related BioAssays' are identified by examining the assay target relationship and activity profile of commonly tested compounds. A key goal of PubChem BioAssay is to make the biological activity information easily accessible through the NCBI information retrieval system-Entrez, and various web-based PubChem services. An integrated suite of data analysis tools are available to optimize the utility of the chemical structure and biological activity information within PubChem, enabling researchers to aggregate, compare and analyze biological test results contributed by multiple organizations. In this work, we describe the PubChem BioAssay database, including data model, bioassay deposition and utilities that PubChem provides for searching, downloading and analyzing the biological activity information contained therein.
PubChem 生物测定数据库（http://pubchem.ncbi.nlm.nih.gov）是由美国国立卫生研究院（NIH）托管的小分子和小干扰 RNA（siRNA）生物活性的公共存储库。它归档了测定和生物测试结果的实验描述，并向公众免费提供信息。PubChem 生物测定数据条目包括测定描述、摘要和详细测试结果。每个测定记录都尽可能与分子靶标相关联，并与其他国家生物技术信息中心（NCBI）数据库记录交叉引用。“相关生物测定”是通过检查常用测试化合物的测定靶标关系和活性谱来确定的。PubChem 生物测定的一个关键目标是通过 NCBI 信息检索系统-Entrez 以及各种基于网络的 PubChem 服务，使生物活性信息易于访问。一套集成的数据分析工具可用于优化 PubChem 内化学结构和生物活性信息的实用性，使研究人员能够聚合、比较和分析来自多个组织的生物测试结果。在这项工作中，我们描述了 PubChem 生物测定数据库，包括数据模型、生物测定存储库以及 PubChem 提供的用于搜索、下载和分析其中包含的生物活性信息的实用程序。
