National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA.
Nucleic Acids Res. 2012 Jan;40(Database issue):D400-12. doi: 10.1093/nar/gkr1132. Epub 2011 Dec 2.
PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological activity data of small molecules and RNAi reagents. The mission of PubChem is to deliver free and easy access to all deposited data, and to provide intuitive data analysis tools. The PubChem BioAssay database currently contains 500,000 descriptions of assay protocols, covering 5000 protein targets, 30,000 gene targets and providing over 130 million bioactivity outcomes. PubChem's bioassay data are integrated into the NCBI Entrez information retrieval system, thus making PubChem data searchable and accessible by Entrez queries. Also, as a repository, PubChem constantly optimizes and develops its deposition system answering many demands of both high- and low-volume depositors. The PubChem information platform allows users to search, review and download bioassay description and data. The PubChem platform also enables researchers to collect, compare and analyze biological test results through web-based and programmatic tools. In this work, we provide an update for the PubChem BioAssay resource, including information content growth, data model extension and new developments of data submission, retrieval, analysis and download tools.
PubChem(http://pubchem.ncbi.nlm.nih.gov)是一个小分子和 RNAi 试剂生物活性数据的公共存储库。PubChem 的使命是提供免费且易于访问的所有已存储数据,并提供直观的数据分析工具。目前,PubChem 生物测定数据库包含 50 万个测定方案描述,涵盖 5000 个蛋白质靶标、30000 个基因靶标,提供超过 1.3 亿个生物活性结果。PubChem 的生物测定数据集成到 NCBI Entrez 信息检索系统中,因此使 PubChem 数据可通过 Entrez 查询进行搜索和访问。此外,作为一个存储库,PubChem 不断优化和开发其存储系统,以满足高容量和低容量存储库的许多需求。PubChem 信息平台允许用户搜索、查看和下载生物测定描述和数据。PubChem 平台还使研究人员能够通过基于网络的和编程工具收集、比较和分析生物测试结果。在这项工作中,我们提供了 PubChem 生物测定资源的更新,包括信息内容的增长、数据模型的扩展以及数据提交、检索、分析和下载工具的新开发。