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Partial Least Squares (PLS) was used to develop Quantitative Structure -Property Relationships (QSPRs) to analyze substrate structures in asymmetric ketone hydrogenation reactions with Noyoris catalyst. For a set of benzophenone substrates, PLS models were obtained which could correlate the substrate structure to the product enantiomeric excess (e.e.). The structural conformation used for calculating some of the descriptors was found to be important for obtaining satisfying model properties. Acceptable R 2 and Q 2 values could be obtained despite the small training data set of only 13 benzophenones. The model was subsequently used for the systematic estimation of product e.e. values for a series of other benzophenone substrates. Reaction results for two benzophenones show that the model can correctly indicate a low, medium or high expected e.e. value.

In times of shrinking resources and pharmaceutical breakthrough situations, our value-assessing systems are stretched to their very limits. Assessing value is highly complex. Current value-assessment systems risk neglecting important factors, such as therapy duration, budget impact, or the importance of combination therapies. Especially when dealing with breakthrough therapies within high-prevalence indications, these factors play an important role in health care spending. When it comes to assessing value in Switzerland, the system is innovation and access-friendly; the price level of pharmaceutical products, however, is relatively high in comparison to neighboring countries. The Swiss pricing and reimbursement system can still improve in terms of efficiency and transparency.