CARSA,a computer-assisted system for synthesis research in industry

Computer applications in chemical industry are outlined and the CARSA system (computer-assisted research in synthesis and application) is described. This modular system consists of the three main parts: WIFODATA (data base; substance and finding documentation), QSAR (programs for quantitative structure/activity relationships) and RDSS (reaction design by synthon substitution; program package for planning of syntheses). The vital RDSS component is discussed in more detail; the underlying philosophy is explained, and examples are given from practical work. Some future steps towards a real molecular-design system are outlined.