COMPUTER ASSISTED ANALYSIS OF CHEMICAL SYNTHESIS

化学合成的计算机辅助分析

• 批准号: 3269302
• 负责人: ELIAS J COREY
• 金额: $ 27.37万
• 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 1994-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3269302
• 关键词: artificial intelligence; chemical structure; chemical synthesis; computer data analysis; computer graphics /printing; computer human interaction; computer program /software; computer system design /evaluation; 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 knowledge base. The program can be applied to problems involving biologically important substances and is available to other scientists. The LHASA project pioneered the field of computer-assisted synthetic analysis. LHASA has been and continues to be the most sophisticated and powerful computer program for synthetic analysis. Our goal is to increase greatly the capabilities of LHASA so that it becomes a valuable and widely used tool in science.

这项工作的主要目标是数字计算机的应用 到复杂有机结构的合成途径的衍生。 一个通用的问题求解程序LHASA（Logic and Heuristics Applied 综合分析），正在开发，可以使用 化学家通过简单的图形化输入-输出 结构式 有机合成的原理与策略 正在被正式化以供程序使用。 各种策略 包括远程搜索能力， 程序. 此外，有关合成的大量信息 化学正在组织和合理化，以提供丰富的， 有效的知识基础。 该程序可以应用于问题 涉及生物学上重要的物质，并可供其他 科学家 LHASA项目开创了计算机辅助 综合分析 LHASA一直是并将继续是 用于综合分析的复杂而强大的计算机程序。 我们 目标是大大提高LHASA的能力，使其成为 一种有价值且广泛使用的科学工具。