ROBIA: A reaction prediction program

被引：43

作者：

Socorro, IM

Taylor, K

Goodman, JM

机构：

[1] Univ Cambridge, Chem Lab, Unilever Ctr Mol Sci Informat, Cambridge CB2 1EW, England

[2] Elsevier MDL, San Leandro, CA 94577 USA

来源：

ORGANIC LETTERS | 2005年 / 7卷 / 16期

关键词：

D O I：

10.1021/ol0512738

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A reaction prediction program, ROBIA, has been developed. This interactive computer program predicts the products of organic reactions from the starting materials and the reaction conditions, on the basis of the selected transformations within its database. This mechanistic approach generates a large number of products, from which the most important are selected using filters and molecular modeling calculations. The procedure has been applied to the possible biosynthesis pathway of dolabriferol.

引用

页码：3541 / 3544

页数：4

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