β Scribed by W. Graham Richards
No coin nor oath required. For personal study only.
Computer-aided molecular design has come o f~e. In the pharmaceutical and fine chemical industrie~ Β’~mputer graphics techniques allied to theoretical c~fculations are proving successful in suggesting to synZhetiΒ’ chemists molecules which will merit synthesis in terms of desired specific properties. Expert systems can also be used in suggesting the synthetic route by which the compounds may be synthesised. The techniques currently available can deal both with the relatively small molecules which tend to be the products of industry and the macromolecules with which they often interact to achieve desired results such as interference with biological control mechanisms. molecular graphics, molecular structure, synthesis CAMD (computer-aided molecular design) has not yet joined the universally recognised acronyms CAD and CAM, but activities which can be grouped under this heading are now widespread in industry and academia. There has been a proliferation of conferences on the subject, a number of general reviews 1-a and a new journal largely devoted to the topic 9. Despite this activity and the large overlap with computer-aided design of mechanical and architectural structures there has been very little cross-fertilization between the disciplines. This article aims to expose the nature of molecular design to the wider audience in the hope that.some of the hardware and software can be adapted to the mutual advantage of both areas.
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