SIMILARITY SEARCHING IN REACCS - A NEW TOOL FOR THE SYNTHETIC CHEMIST

被引：21

作者：

GRETHE, G

MOOCK, TE

机构：

[1] Molecular Design Limited, San Leandro, California 94577

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1990年 / 30卷 / 04期

关键词：

D O I：

10.1021/ci00068a025

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Similarity searching over large reaction databases has been implemented in REACCS very recently. This paper describes several applications in which the new technique has been used advantageously. These include reaction classification by reaction or reagent type and synthesis planning. The complementary nature of the new method adds a new tool to the armament of the synthetic chemist for effectively managing information needs. © 1990, American Chemical Society. All rights reserved.

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页码：511 / 520

页数：10

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