使用LSD（结构确定逻辑）和SISTEMAT专家系统进行自动结构解析的新进展。
New improvements in automatic structure elucidation using the LSD (Logic for Structure Determination) and the SISTEMAT expert systems.
作者信息
Plainchont Bertrand, Nuzillard Jean-Marc, Rodrigues Gilberto V, Ferreira Marcelo J P, Scotti Marcus T, Emerenciano Vicente P
机构信息
UMR 6229, University of Reims, Moulin de la Housse, BP 1039, 51687 REIMS Cedex 2, France.
出版信息
Nat Prod Commun. 2010 May;5(5):763-70.
This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.
本文描述了LSD（结构确定逻辑）和SISTEMAT专家系统的整合，这两个系统均设计用于小分子有机化合物的计算机辅助结构解析。在将SISTEMAT数据库与LSD结构生成器相连接方面已迈出了第一步。SISTEMAT程序找到的骨架描述现在可以轻松地作为子结构约束条件传输到LSD中。文中给出了这些专家系统之间协同作用的实例，涉及最近报道的天然产物。
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