ThermoData engine (TDE): Software implementation of the dynamic data evaluation concept
ThermoData engine (TDE): Software implementation of the dynamic data evaluation concept
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DOI：
10.1021/ci050067b
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发表时间：
2005-07-01
影响因子：
5.6
通讯作者：
Muzny, C
中科院分区：
文献类型：
--
作者：
Frenkel, M;Chirico, RD;Muzny, C
针对热物理特性数据描述了动态数据评估概念 {ThermoData Engine (TDE)} 的第一个全面软件实现。这个概念需要开发大型电子数据库，能够存储迄今为止已知的所有实验数据以及相关元数据和不确定性的详细描述。这些电子数据库与专家系统软件相结合，旨在根据可用的实验数据自动生成推荐数据，从而能够动态或“按订单”生成严格评估的数据。描述了六项主要设计任务，重点是用于自动关键评估的软件架构，包括预测方法的动态选择和应用以及热力学一致性的实施。讨论了未来增强的方向。
The first full-scale software implementation of the dynamic data evaluation concept {ThermoData Engine (TDE)} is described for thermophysical property data. This concept requires the development of large electronic databases capable of storing essentially all experimental data known to date with detailed descriptions of relevant metadata and uncertainties. The combination of these electronic databases with expert-system software, designed to automatically generate recommended data based on available experimental data, leads to the ability to produce critically evaluated data dynamically or 'to order'. Six major design tasks are described with emphasis on the software architecture for automated critical evaluation including dynamic selection and application of prediction methods and enforcement of thermodynamic consistency. The direction of future enhancements is discussed.