Data quality, combinatorial chemistry

In the late 1980s Frechet showed that high quality 13C NMR data of swollen gels could be readily obtained by MAS using a standard MAS probe (34-36). The first use of13 C MAS NMR data for combinatorial chemistry demonstrated that a potential reaction complication, the production of two similar compounds, could be monitored (37). The reaction of norbomane carboxylic acid... 

This initial parallelization of the purity analysis for combinatorial chemistry has demonstrated the considerable benefits of such an approach in terms of reduction of overall analytical time with no compromise of data quality. However, for a system that mirrors current practice in the majority of laboratories, and to obtain more information about the identity of the analyte, a parallel approach using MS detection must also be present. 

DOS) which offer convenient routes to much larger numbers of compounds. If there is one thing that should be learnt from the early days of combinatorial chemistry, it is that chemists should always judge the quality of these libraries on the chemical structures and biological data produced, not on the elegance of the synthetic chemistry, nor on the unsubstantiated claims of their proponents. 

The demands on the quality and quantity of spectral information is increasing in spectroscopic laboratories. Quality plays an important role if the produced data are intended to be used in systems with spectrum prediction capabilities. The number of compounds to be investigated is expected to increase rapidly, mainly owing to the growth in synthesis work performed in combinatorial chemistry. Since computer hardware and networking techniques have been improved rapidly in recent years, data storage capacity and rates of information transfer do not play a restricting role. 

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