Computer-Aided Data Review and

Computer Aided Data Review and Evaluation (CADRE) Reviews Laboratory data on volatile and semi-volatile organics and pesticides as part of data evaluation (in use) PROLOG Micro R. Olivero/Lockheed D. Bottrell/EPA/EMSL ... 

CADRE - COMPUTER-AIDED DATA REVIEW AND EVALUATION... 

As always, we try to be heedful of the needs of our readers and authors. Every effort is made to produce volumes that will have sustained usefulness in learning, teaching, and research. We appreciate the fact that the community of computational chemists has found that these volumes fulfill a need. In the most recent data on impact factors from the Institute of Scientific Information (Philadelphia, Pennsylvania), Reviews in Computational Chemistry is ranked fourth among serials (journals and books) in the field of computational chemistry. (In first place is the Journal of Molecular Graphics and Modelling, followed by the Journal of Computational Chemistry and Theoretical Chemistry Accounts. In fifth and sixth places are the Journal of Computer-Aided Molecular Design and the Journal of Chemical Information and Computer Science, respectively.)... 

Along with the improvements in the chemistry of automated ion-exchange analysis of amino acids, there have been considerable advancements in instrumentation. These include improvements in eluent delivery, mointoring devices, and computational aids (data calculation). However, it is interesting that the basic principles of the first instrument (Spackman et a/., 1958) are still found in even the most sophisticated commercial instruments available today, a clear testimony to the care and ingenuity of the workers who brought these ideas to practical fruition. An excellent authoritative review has appeared (Moore, 1972). 

When possible, meta-analyses were computed to summarize the overall effects from controlled clinical trials. These summarized data are used to compute an effect size and to calculate the probability that a given drug is different from placebo and equivalent to or more effective than standard drug treatments. The goal is to estimate the extent of clinical improvement with a specific treatment as an aid to therapeutic decision-making. In one sense, a meta-analysis can be seen as a quantitative literature review using a more explicit and structured approach. Thus, it can complement a narrative review and often accompanies a literature summary (6). 

So despite the failure of the 1970 Conference on Computational Support for Theoretical Chemistry to achieve its aims, computational chemistry flourished during the 1980s. Evidence of this can be found in the appearance of new journals and in the expansion of the literature. A long list of journals and newsletters dedicated to computer-aided chemistry, along with their dates of inception, has been presented by Kenneth Lipkowitz and Donald Boyd, computational chemists and editors of Reviews in Computational Chemistry (see Table 1). Lipkowitz and Boyd also presented data on the number of articles abstracted by the Chemical Abstracts Service from 11 journals covering aspects of computational chemistry. Their data showed a general increase in the number of articles, with some fluctuations, going from approximately 680 in 1978 to approximately 1175 in 1988. ... 

This review, which certainly cannot claim to have covered the whole spectrum of problems, shows that considerable progress has been made in the last decade in kinetic data analysis and parameter estimation. Specially designed reactors, dynamic analysis techniques, as well as computer aided experimentation are some of the highlights. But reaction analysis and reactor simulation for heterogeneously catalysed reactions are still a challenging task that needs the intelligent action of the chemical reaction engineer. 

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