THE LILITH APPROACH TO ORGANIC-SYNTHESIS PLANNING

被引：16
|
作者：
BAUMER, L [1 ]
SALA, G [1 ]
SELLO, G [1 ]
机构：
[1] UNIV MILAN,DIPARTIMENTO CHIM ORGAN & IND,VIA VENEZIAN 21,I-20133 MILAN,ITALY
来源：
ANALYTICA CHIMICA ACTA | 1990年 / 235卷 / 01期
关键词：
D O I：
10.1016/S0003-2670(00)82076-0
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
The general basis of the LILITH program is outlined. The size of the possible solution space is reduced by enhancing convergence, simplification and ordering. Complexity distance, relevant bond sets and ordering for bond-forming sequences are described. The evaluation of reactivity is the second main aspect in organic synthesis planning. Properties involving the ground state (native bond polarity) and the excited state (group-similar interference) contribute to the prediction of reactivity. © 1990.
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页码：209 / 214
页数：6
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