中文摘要：

化学发现较多地依赖于研究者的经验与创意。随着信息技术的进步，计算化学作为化学的一个分支也在迅速地发展。移动互联网和云计算的出现使计算突破了时间和空间的制约，为计算化学提供了新的发展空间。本文研究并开发了一个基于Android的化学数据计算移动平台，实现了化学项目管理、数据分析以及数据查询等功能。项目管理包括项目创建、项目修改、项目删除和项目查询。在创建面向实验的项目时，本平台支持对化学方程式的编辑，在确定反应物和生成物的分子式后，系统将自动计算分子量并配平方程式。数据分析是对实验或计算结果进行处理和分析，包括计算化学反应的转化率、产率，对数据进行中心化、对数化等预处理，以及数据拟合与回归等，同时引入了图形化显示技术，可直观反映各种因素之间的关系。数据查询包括元素周期表查询、平台存储化合物查询和在线化合物数据库查询。在平台内部，构建了一张电子元素周期表，能够完成元素查询以及相关计算的自动检索：同时存储了与化学项目相关的化合物信息，并提供了一些常用在线化学数据库链接以扩展平台的功能。测试表明，所研发的移动化学计算平台实现了预期功能，性能稳定。

英文摘要：

Discovery in chemistry research heavily depends on researcher＇s experience and creativity. With the advancement of information technology, high-speed processing of large-scale data has been applied to the study of chemistry. The so-called computational chemistry is developing rapidly. The emergence of mobile intemet and cloud computing have provided a new horizon for computational chemistry. We hereby describe a mobile platform for chemistry computing based on Android. Its basic functions have included chemical project management, data processing and analysis, and information inquiry. For chemical project management, the projects can be created, modified, deleted and queried. When experiment projects have been created, chemical reaction equations can be edited. Once the reactants and products of the formula have been inputted, the system can automatically calculate molecular weight and balance the equation. For data processing and analysis, the system can calculate the conversion rates of reactants and yield of the products. For a series of chemical data, it can be preprocessed for fitting and regression by centralization and logarithm. With the introduction of graphical display technology, the relationships between the data can be directly visualized. For information inquiry, an electronic periodic table of elements has been constructed for retrieving information and calculating molecule weight automatically. Moreover, information related to the compounds is stored, and online chemical database links are provided. Testing has shown that the mobile chemical computing platform can achieve the desired functionality with stable performance.