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介绍有机物性估算系统OPES(OrganicphysicalPropertyEstimationSystem)微机版本的特点。OPES内装由系统推荐数据构成的基础物性数据库,并为每种物性均提供多种模型,这些模型反映了物性研究的最新成果。系统采用两种方式帮助用户选择合适的估算方法:(1)收集整理了模型的适用范围、估算精度、输入参数等参考信息,供用户选择模型时在线查询;(2)对数据库中的化合物以及估算模型按照极性类别分为四类,自动向用户显示适合于所要计算的化合物的估算模型菜单,缩小了需用户选择的范围。
Introduce the characteristic of OPES (Organic Physical Properties Estimation System) computer version. OPES contains the basic database of physi- cals based on data recommended by the system and provides a variety of models for each of these properties, reflecting the latest achievements in the study of physical properties. The system uses two methods to help the user choose the appropriate estimation method: (1) Collecting and compiling the applicable scope of the model, estimation accuracy, input parameters and other reference information for online query when the user selects the model; (2) Analyzing the compound in the database and The estimation model is divided into four categories by polarity category, which automatically shows the user an estimation model menu suitable for the compound to be calculated, narrowing the range to be selected by the user.