Some recent progress in the development of the LHASA computer system for organic synthesis design: Starting-material-oriented retrosynthetic analysis
✍ Scribed by A. Peter Johnson; Chris Marshall; Philip N. Judson
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 594 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0165-0513
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
One of the strategies used by chemists when designing retrosynthetic routes is to direct them towards particular starting materials which have been chosen because they have structural similarities to the target compounds. This paper illustrates uses of the starting‐material strategy in the LHASA program. To apply the strategy, LHASA must be able to select potential starting materials, perceive how they map onto the target compound, recognise the structural changes implied by the mapping if the target structure is to be converted retrosynthetically into that of the starting material, find chemical reactions that can bring about the changes and decide upon the order in which they should be done.