期刊
MOLECULAR INFORMATICS
卷 33, 期 6-7, 页码 469-476出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/minf.201400052
关键词
Atom-to-atom mapping; Reaction retrieval systems; Computer-aided synthesis design; Reaction prediction; Synthetic feasibility
This article is the text for a pedagogical lecture to be given at the Strasbourg Summer School in Chemoinformatics in June 2104. It covers a very wide range of reaction topics including structure and reaction representation, reaction centers, atom-to-atom mapping, reaction retrieval systems, computer-aided synthesis design, retrosynthesis, reaction prediction and synthetic feasibility. In the time available the coverage of each topic can only be cursory; the main usefulness of this article to the research community is the extensive bibliography.
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