浅谈如何在WWW上检索化学信息资源

本文分析了在WWW上查找化学资源的优缺点 ,并介绍了在WWW上查找化学文献的两种方法及检索技巧。     

互联网上化学信息的检索

信息资源与信息服务是科研人员从事科学研究和科技创新工作的重要基础。在科学飞速发展的今天,科学研究工作首先要掌握准确可靠、全面快捷的资讯查找方法。信息资源既是过去经验的总结,又是未来工作的向导。化学化工是信息量大、信息种类多的一门学科。随着计算机网络技术的迅速发展,Internet正在成为化学信息的主要载体和信息服务的重要手段。利用全球信息网浏览和获取化学信息已成为化学工作者必须掌握的基本技能之一。如何从浩如烟海的信息空间里快速找到自己有用的信息资源？掌握一套有效的查询方法和技巧是关键。     

利用ChIN网页获取Internet化学信息

简要回顾Ｉｎｔｅｒｎｅｔ的飞速发展所带来的化学信息的网络化趋势,主要介绍一个Ｉｎｔｅｒｎｅｔ化学信息资源导航系统ＣｈＩＮ网页以及利用ＣｈＩＮ网页获取Ｉｎｔｅｒｎｅｔ化学资源的方法。     

互联网+时代检索化学化工信息与获取原文的便捷方法

在探讨传统化学文献与网络化学化工信息之间关系的基础上,就快速、便捷地检索化学化工信息源线索,以及获得原始文献的策略与方法进行了翔实总结,为即将加入相关行业的学者与青年学子便捷或免费获取文献提供有价值的方法。     

如何浏览Internet上的化学信息资源

作为一个普通的化学工作者如何浏览Internet的上化学信息资源呢?笔者通过学习和实践,总结了几种方法。     

信号处理技术在重叠化学信号解析中的应用*

重叠峰解析是目前分析化学中亟须解决的一个重要问题,化学计量学用于重叠峰解析就是借助某些数学或统计学方法,把通过化学方法和仪器未能完全分离的复合量测信号分解成几个单儿组分的信号,从而从重叠谱中获取每个组分的相关信息。本文综述了几种常见信号处理技术在重叠化学信号分辨中的应用,引用文献146篇。     

《化学化工文献及其检索》简介

查阅科技文献,可以使科技工作者减少重复劳动,有效地利用他人的经验和成果,以指导自己的工作。随着我国四化建设的发展,需要查阅文献资料的同志日益增多,而专门介绍化学化工文献及其检索方法的书籍却很少见到。最近,由季鸿昆编写的《化学化工文献及其检索》一书,已由江苏科技出版社出版,值得推荐。读书系统地介绍了化学化工领域内的     

因特网中的一些化学教学科研资源

针对化学教学和科研中经常需要查阅使用的化学知识,诸如化合物的IUPAC命名、元素和化合物的性质、合成方法、光谱数据、化学试剂等,阐述如何从因特网上查阅相关信息。     

利用搜索引擎高效获取化学教学资源的方法

互联网资源的丰富多彩给化学教学带来了很大的便利,如何高效地利用互联网信息资源成为广大化学教师关注的问题。本文简述了搜索引擎的基本原理与类型,探讨了通过搜索引擎高效获取化学教学资源的一些技巧和策略,列出了一些常用的搜索引擎。     

JavaScript在网络化学数据库查询系统中的应用

信息时代日新月异的今天,全球信息网（ＷＷＷ,ＷｏｒｌｄＷｉｄｅＷｅｂ）［１］上的信息资源正以指数级的速度增长。化学同样得益于ＷＷＷ的飞速发展,ＷＷＷ上的各种化学数据库为化学工作者查询化学信息带来了很大的方便。然而,在进行网络化学数据库查询时,查询的结...     

The use of the Internet for teaching Chemistry

Over the past 20 years there have been astounding advances in computer hardware and software. Many recent developments have focused on the Internet and the World Wide Web (WWW). The Internet has made a huge impact on the way chemists work, but as yet far less on the way they teach.     

Chemistry Resources on the Worldwide Web in China

The World Wide Web (WWW) has become one of the most important ways for chemists to collect the newest information in chemistry. Many web sites provide comprehensive chemical information resources. In China, some special web sites have been established to provide information resources in chemistry. One of the most important web site is ChIN (The International Chemical Information Network, www.chinweb.com.cn or chin.icm.ac.cn) supported by Chinese Academy of Sciences and National Natural Science Foundation of China.     

A chemistry home page on the World Wide Web

In this article a brief overview of the World Wide Web (WWW) is given, with some examples of the kind of information and services pertaining to analytical chemistry that can be found there. An existing WWW site that has been set up for analytical chemists is used as a case in point. The article concludes with a brief look at some of the issues raised by publishing on the Internet. Received:15 January 1996 / Accepted: 28 January 1996     

A chemistry home page on the World Wide Web

In this article a brief overview of the World Wide Web (WWW) is given, with some examples of the kind of information and services pertaining to analytical chemistry that can be found there. An existing WWW site that has been set up for analytical chemists is used as a case in point. The article concludes with a brief look at some of the issues raised by publishing on the Internet. Received:15 January 1996 / Accepted: 28 January 1996     

Chemistry in Times of Artificial Intelligence

Chemists have to a large extent gained their knowledge by doing experiments and thus gather data. By putting various data together and then analyzing them, chemists have fostered their understanding of chemistry. Since the 1960s, computer methods have been developed to perform this process from data to information to knowledge. Simultaneously, methods were developed for assisting chemists in solving their fundamental questions such as the prediction of chemical, physical, or biological properties, the design of organic syntheses, and the elucidation of the structure of molecules. This eventually led to a discipline of its own: chemoinformatics. Chemoinformatics has found important applications in the fields of drug discovery, analytical chemistry, organic chemistry, agrichemical research, food science, regulatory science, material science, and process control. From its inception, chemoinformatics has utilized methods from artificial intelligence, an approach that has recently gained more momentum.     

CheD: chemical database compilation tool, Internet server, and client for SQL servers

An efficient program, which runs on a personal computer, for the storage, retrieval, and processing of chemical information, is presented, The program can work both as a stand-alone application or in conjunction with a specifically written Web server application or with some standard SQL servers, e.g., Oracle, Interbase, and MS SQL. New types of data fields are introduced, e.g., arrays for spectral information storage, HTML and database links, and user-defined functions. CheD has an open architecture; thus, custom data types, controls, and services may be added. A WWW server application for chemical data retrieval features an easy and user-friendly installation on Windows NT or 95 platforms.     

Internet推动的化学信息学重要进展*

Internet的普及为专业人员获取数据信息、利用计算工具提供了统一的平台,由此为化学信息学的发展带来了新的空间,推动了化学信息学以网络为基础,以化学相关的数据、信息及计算资源共享为目标的快速发展。本文将从不同侧面回顾近10年来化学信息学的重要进展, 包括：(1) 网络化学信息检索：索引对象从化学浅层网向化学深层网发展;检索工具从Web化学信息资源导航向化学专业搜索引擎(包括文本信息和化合物标识信息)、及化学深层网检索引擎 (化合物物性数据提取)发展;索引粒度从Web站点向页面、乃至页面中的特定内容发展,一般页面特定内容的数据提取(即非结构化数据提取)是未来发展的方向。(2)可共享的化学数据库：从可免费访问和使用的化学数据库向数据库内容通过集成多来源数据(包括数据库拥有者主动收集、多来源数据主动提交达到共享的方式,repository)实现数据库内容免费下载和共享,以及不同数据库之间的相关内容实现无缝连接的方向发展(如NIH建成的药物小分子共享数据库PubChem)。(3) 开源(open source)化学软件工具包：从化学结构基本处理模块如CDK、JOELib向集成开发环境如化学信息学与生物信息学集成环境Bioclipse发展。(4) 与化合物及其数据共享相关的推荐标准：包括用于共享数据交换的化学标记语言CML、IUPAC推荐的学术论文相关热力学实验数据提交标准ThermoML及化合物结构唯一描述码InChI。(5) 计算化学资源共享及基于网格的应用：从可执行程序的下载向在线计算、基于网格的应用发展。(6) eChemistry和虚拟研究环境：网络也成为化学相关日常的科学活动中不可缺少的平台。构建以网络为平台、支持开展科研活动的数字化基础设施和服务的eChemstry探索开始出现,根据需要自主集成多来源数据和计算资源,形成不同层次的支持协同工作的虚拟研究环境是未来数据和计算资源共享方式的发展方向。     

LeadScope: software for exploring large sets of screening data

Modern approaches to drug discovery have dramatically increased the speed and quantity of compounds that are made and tested for potential potency. The task of collecting, organizing, and assimilating this information is a major bottleneck in the discovery of new drugs. We have developed LeadScope a novel, interactive computer program for visualizing, browsing, and interpreting chemical and biological screening data that can assist pharmaceutical scientists in finding promising drug candidates. The software organizes the chemical data by structural features familiar to medicinal chemists. Graphs are used to summarize the data, and structural classes are highlighted that are statistically correlated with biological activity.