首页> 美国卫生研究院文献>Bioinformatics >A Java API for working with PubChem datasets
【2h】

A Java API for working with PubChem datasets

机译:使用PubChem数据集的Java API

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

>Summary: PubChem is a public repository of chemical structures and associated biological activities. The PubChem BioAssay database contains assay descriptions, conditions and readouts and biological screening results that have been submitted by the biomedical research community. The PubChem web site and Power User Gateway (PUG) web service allow users to interact with the data and raw files are available via FTP.These resources are helpful to many but there can also be great benefit by using a software API to manipulate the data. Here, we describe a Java API with entity objects mapped to the PubChem Schema and with wrapper functions for calling the NCBI eUtilities and PubChem PUG web services. PubChem BioAssays and associated chemical compounds can then be queried and manipulated in a local relational database. Features include chemical structure searching and generation and display of curve fits from stored dose–response experiments, something that is not yet available within PubChem itself. The aim is to provide researchers with a fast, consistent, queryable local resource from which to manipulate PubChem BioAssays in a database agnostic manner. It is not intended as an end user tool but to provide a platform for further automation and tools development.>Availability: >Contact:
机译:>摘要:PubChem是化学结构和相关生物活动的公共存储库。 PubChem BioAssay数据库包含由生物医学研究团体提交的测定说明,条件和读数以及生物学筛选结果。 PubChem网站和Power User Gateway(PUG)Web服务允许用户与数据进行交互,并且可以通过FTP获得原始文件。这些资源对许多人有帮助,但使用软件API操纵数据也可以带来很大的好处。在这里,我们描述了一个Java API,该API的实体对象映射到PubChem Schema,包装器函数用于调用NCBI eUtilities和PubChem PUG Web服务。然后可以在本地关系数据库中查询和处理PubChem BioAssays及其相关化合物。其功能包括化学结构搜索以及通过存储的剂量反应实验生成和显示曲线拟合,这在PubChem自身中尚不可用。目的是为研究人员提供快速,一致,可查询的本地资源,从中以数据库不可知的方式操作PubChem BioAssay。它不打算用作最终用户工具,而是为进一步的自动化和工具开发提供平台。>可用性: >联系方式:

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号