コンピュータを利用した有機合成の設計

概要

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On the basis of the concept of the informational homologue, computer aided design systems for organic syntheses are introduced to organic chemists who are not so familiar with them. Some systems are exemplified and their philosophies and policies are explained from a viewpoint of an organic chemist rather than those of information chemists and computer scientists. After the introduction, a role of a computer in such an intellectual work is discussed and the concept of artificial intelligence is mentioned in a relation with the design systems. Relationship between chemistry and design is considered and the usefulness of such kinds of systems is discussed. A viewpoint that LHASA would be one of the inevitabilities of chemical history is introduced. “Irreversibility” of synthetic routes and the systems trying to avoid empirical ways are described. Lastly again, the role of a computer is discussed and it is recommended for synthetic chemists to try designing of their own systems because of very good way to know where they are.
社団法人有機合成化学協会の論文