COMPUTER-ASSISTED ANALYSIS OF CHEMICAL SYNTHESIS

化学合成的计算机辅助分析

• 批准号: 3269299
• 负责人: ELIAS J COREY
• 金额: $ 22.51万
• 依托单位: HARVARD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 1976
• 资助国家: 美国
• 起止时间: 1976-05-01 至 1991-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3269299
• 关键词: artificial intelligence; chemical structure; chemical synthesis; computer data analysis; computer graphics /printing; mathematical model; organic chemicals; stereochemistry

The major objective of this work is the application of digital computers to the derivation of synthetic pathways to complex organic structures. A general problem-solving program, LHASA (Logic and Heuristics Applied to Synthetic Analysis), is being developed which can be used interactively by a chemist with simple graphical input-output of structural formulas. The principles and strategies of organic synthesis are being formalized for use by the program. A variety of strategies including long-range search capabilities are being employed in the program. In addition, the vast range of information on synthetic chemistry is being organized and rationalized to provide a rich and effective database. The program can be applied to problems involving biologically important substances and is being made available for general use.

这项工作的主要目标是应用数字计算机， 复杂有机结构的合成途径的衍生。 一 逻辑和启发式应用于 综合分析），可以交互使用， 一个化学家与简单的图形输入输出的结构式。 的 有机合成的原理和策略正在形成， 被节目。 包括远程搜索在内的多种策略 能力被应用在该计划中。 此外，广大 正在组织一系列关于合成化学的信息， 合理化，以提供丰富而有效的数据库。 该程序可以 适用于涉及生物重要物质的问题， 可供一般使用。