INTELLIGENT SOFTWARE FOR CHEMICAL DIAGRAMS

（摘自申请人摘要）：该项目继续研究 一个围绕独特需求设计的集成文档工具， 生物化学研究人员的交流语言。 一个叫做 ChemWriter将基于I期研究结果实施。 ChemWriter解决了许多健康科学家使用文本的需求， 仪器数据和化学结构图。 该软件结合了化学智能， 化学结构图的绘制过程。 结构图开发 并且通过允许用户以不同的方式工作， 概念层次--功能基团、结构骨架和分子-- 包括原子水平。 每种结构的库都是 提供了创建用户库的能力。 化学 智能被整合到每个化学结构或部分 结构，使其了解如何以及在何处键合 可以形成。 ChemWriter还支持从化学图表导入 结构化数据库和实验室仪器数据直接导入 证件 该软件通过使用 通用软件架构和通用接口，采用X- Windows显示描述语言。 ChemWriter应增加 研究人员的生产力，并加快重要研究的传播 结果

(Adapted from applicant's abstract): The project continues research into an integrated tool for documentation designed around the unique needs and communication language of biochemical researchers. A software tool called ChemWriter will be implemented based on the Phase I research results. ChemWriter addresses the need of many health scientists to work with text, instrument data, and chemical structure diagrams in an integrated fashion. The software incorporates chemical intelligence to support and streamline the chemical structure diagramming process. Structure diagram development and manipulation is enhanced by allowing users to work at differing conceptual levels--functional group, structural skeleton and molecular-- including the atomic level. Libraries of each kind of structure are provided and the capability to create user-libraries. Chemical intelligence is incorporated into each chemical structure or partial structure regardless of level, giving it knowledge of how and where bonds may form. ChemWriter also supports importation of diagrams from chemical structure databases, and laboratory instrument data directly into documents. The software is made machine independent through use of a common software architecture and a common interface, coded in the X- Windows display description language. ChemWriter should increase researcher productivity, and speed dissemination of important research results.