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PUG-SOAP和PUG-REST:用于通过编程方式访问PubChem中化学信息的网络服务。

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem.

作者信息

Kim Sunghwan, Thiessen Paul A, Bolton Evan E, Bryant Stephen H

机构信息

National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20894, USA.

National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20894, USA

出版信息

Nucleic Acids Res. 2015 Jul 1;43(W1):W605-11. doi: 10.1093/nar/gkv396. Epub 2015 Apr 30.

DOI:10.1093/nar/gkv396
PMID:25934803
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4489244/
Abstract

PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, developed and maintained by the US National Institutes of Health (NIH). PubChem contains more than 180 million depositor-provided chemical substance descriptions, 60 million unique chemical structures and 225 million bioactivity assay results, covering more than 9000 unique protein target sequences. As an information resource for the chemical biology research community, it routinely receives more than 1 million requests per day from an estimated more than 1 million unique users per month. Programmatic access to this vast amount of data is provided by several different systems, including the US National Center for Biotechnology Information (NCBI)'s Entrez Utilities (E-Utilities or E-Utils) and the PubChem Power User Gateway (PUG)-a common gateway interface (CGI) that exchanges data through eXtended Markup Language (XML). Further simplifying programmatic access, PubChem provides two additional general purpose web services: PUG-SOAP, which uses the simple object access protocol (SOAP) and PUG-REST, which is a Representational State Transfer (REST)-style interface. These interfaces can be harnessed in combination to access the data contained in PubChem, which is integrated with the more than thirty databases available within the NCBI Entrez system.

摘要

美国国立医学图书馆的化学物质数据库(http://pubchem.ncbi.nlm.nih.gov)是一个关于化学物质及其生物活性信息的公共知识库,由美国国立卫生研究院(NIH)开发和维护。该数据库包含超过1.8亿条由提交者提供的化学物质描述、6000万个独特的化学结构以及2.25亿条生物活性测定结果,涵盖9000多个独特的蛋白质靶标序列。作为化学生物学研究界的信息资源,该数据库每月通常会收到来自约100万不同用户的100多万次请求。通过几个不同的系统可以对这些海量数据进行编程访问,其中包括美国国立生物技术信息中心(NCBI)的Entrez实用工具(E-实用工具或E-Utils)以及美国国立医学图书馆的化学物质数据库高级用户网关(PUG)——一个通过可扩展标记语言(XML)交换数据的通用网关接口(CGI)。为进一步简化编程访问,美国国立医学图书馆的化学物质数据库还提供了另外两种通用网络服务:使用简单对象访问协议(SOAP)的PUG-SOAP和具有代表性状态转移(REST)风格接口的PUG-REST。这些接口可以结合使用来访问美国国立医学图书馆的化学物质数据库中包含的数据,该数据库与NCBI Entrez系统中的三十多个数据库集成在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/3fbe1776dd95/gkv396fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/299bdda60659/gkv396fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/1e37b5b6dd68/gkv396fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/3fbe1776dd95/gkv396fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/299bdda60659/gkv396fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/1e37b5b6dd68/gkv396fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b2a/4489244/3fbe1776dd95/gkv396fig3.jpg

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