【作者】 曹庆文；

【导师】 李梦龙；

【作者基本信息】 四川大学 ， 分析化学， 2003， 硕士

【摘要】 化学信息学是在信息科学与计算机科学、互联网高速发展的前提下，为了更好地推动化学科学的发展，而在近几年快速成长的一门化学与信息科学、计算机科学高度交叉形成的边缘学科。它不但同时具有这几个学科的特点，又具有自己的独特之处。目前，化学信息学已经成为化学领域的发展热点之一。本文正是在化学信息学范畴下的工作。 国际互联网的产生、发展和飞速的商业化，极大地方便了各种化学信息资料的搜索、查询与处理。很多化学工作者迅速掌握了大量的计算机技术，利用该技术根据实际工作需要构造化学信息处理工具和在Internet上提供大量化学信息。目前Internet上的化学信息主要包括各种化学数据库、化学专利、网络版期刊杂志、网络会议与教育、CAI资源、化学软件等等丰富的内容。随着计算机科学技术的发展，化学数据库已经逐步成为化学工作者利用计算机获得各种互联网上化学信息的重要工具。但是对于各种常用化学数据，尚无数据量丰富的专业数据库来适应现代基础化学工作的需求，帮助化学工作者在最短的时间内直接获取到实验和工作中所需常用数据。因此我们构建了常用化学数据资源库。 本文中采用Visual Basic 6.0和Microsoft FrontPage 2000等软件构建了常用化学数据资源库，其目的是帮助化学工作者快速找到所需要的数据，迅速解决他们工作和学习中遇到的化学数据问题，大大提高其工作和学习效率，同时还提供化学软件、反应机理、装置图示、虚拟化学、化学常识和化学资源四川大学硕士学位论文等丰富的内容。该资源库与当前的主流操作平台与软件等(如Windows平台、Microsoft。ffice软件与1E浏览器)兼容性好，图文并茂，具有动态效果，本身自成一个完整体系。其构建的基础是我们编写的《化学数据速查手册》一书，该手册是国内第一部具有配套光盘的电子版手册，不仅其内容丰富，具有可查询性，而且提供了大量的化学信息与站点链接。常用化学数据资源库经试用，效果很好，因此己经被推荐参加中国石油和化学工业协会的多媒体作品评奖。 随着wEB技术的发展，对工nternet信息服务的要求不断提高，一成不变的静态页面和简单的动画己经不能满足人们对网络信息日益增长的需求，普通的静态网站已经不能满足各种应用需求，因此就要求网站开发人员掌握新的浏览器/服务器技术(B/S)，以便能够创建出内容动态的网站。同时结合数据库技术，在WEB上实现信息管理系统已成为可能。所以对本实验室创建于1 999年的CIC信息化学中心网站进行了更新维护，’不仅增加了化学数据、中药指纹图谱、远程计算、论文精粹和专题讲座等等全新的栏目内容，对原有的专题内容进行了大面积的更新维护，还使用了ASP技术建立了WEB信息管理系统，实现了wEB与数据库的结合，使网页界面更加友好，增强了动态交互性，易于开发、管理和维护。更多还原

【Abstract】 At present, Chemoinformatics has been a hot research field in chemistry. It is an interdisciplinary science developed by the interaction of modem chemistry, informatics, computer science and Internet technology. It has not only the characteristics of these subjects, but also its own characteristics. The work is accomplished in this background.It is the produce, development and quick business of Internet that makes it convenient for search, query and processing of variously chemical information. Many chemists make themselves master of plentiful computer technology and then use it to construct processing instrument for chemical information based on practical work, supply a great deal chemical information in the Internet. At present, chemical information in the Internet comprises various chemical databases, chemical patents, network periodicals, net meetings, network education, CAI resource, chemical software and so on. In the wake of the quick development of computer science, chemical databases have gradually been the important tool that chemists use computer to achieve various chemical information in the Internet. But for differently common chemical data, there isn’t a special database that includes abundant data. It must be fit for the demand of modernly chemical work and help chemists to attain directly the common data used in experiment and work during the shortest time. So we built the common chemical data resource database.This paper introduces the building of common chemical data resource databasebased on Visual Basic 6.0 and Microsoft FrontPage 2000. The database can help chemists to find needed data quickly, resolve rapidly the problem of chemical data in their work and study, improve the efficiency and offer some chemical software, reaction mechanism, pictures of reaction equipment, visual chemistry, general knowledge of chemistry, chemical resource and so on. It has good compatibility with currently main operating systems and software (for example, Windows, M icrosoft office and IE browser). The pictures and their accompanying essays are both excellent. It is a dynamic and integrated system. Concise Handbook of Chemical Data written by us is the foundation of the database. The handbook is the first electronical handbook with CD itself that not only its vast content can be queried but also plentifully chemical information and correlative links are supplied. The result of probation is very good so that it has been recommended to join multimedia production award of National association of Petrolic and Chemical Industry.in the wake of the quick development of WEB technology, the demands to Internet have been more and more. Gradually people are not satisfied with unalterably static page layout views, simple cartoons and ordinarily static websites any more. So it is necessary website designers to master new browser/server technology in order that they can design dynamic websites. At the same time, realization of management information system based on WEB mode integrating with database technology can be accomplished. So we renew CIC Chemomformatics center website which was built in 1999 in our laboratory. We not only add several new subjects (for example, chemical data, Chinese traditional medicine fingerprint identification, remote computing, succinct theses, special topic lectures and so on) and renew most intrinsic subjects, but also build WEB management information system based on ASP technology, realize the combination of WEB and database. So the WEB pages can be made very tidy, beautiful and more dynamically interactive. Its interface looks much more friendly to users. Then it can be operated, managed and maintained easily.更多还原