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Catalysis of Organic..

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Wolf, Seebald and Tacke 4911,88Figure 4.Ranking <strong>of</strong>similarities <strong>of</strong> thePd catalysts withrespect to the hypotheticalidealperformance pr<strong>of</strong>ileshown inFigure 31,9522,12,152,252,352,452,552,7DEG-Cat 3DEG-Cat 16DEG-Cat 14DEG-Cat 12DEG-Cat 10DEG-Cat 4DEG-Cat 15DEG-Cat 2DEG-Cat 13DEG-Cat 7DEG-Cat 8DEG-Cat 11DEG-Cat 5DEG-Cat 6DEG-Cat 9DEG-Cat 12,82 4 6 8 10 12 14 16Similarity to Edited (rank)The pro<strong>of</strong> that this pre-selection meets indeed the most selective catalysts for thehydrogenation <strong>of</strong> the hydroxy-olefin is derived from Figure 5. Here, the yield <strong>of</strong>saturated alcohol obtained by conversion <strong>of</strong> the hydroxy-olefin is plotted vs. thesimilarity values derived from the Euclidean distance between performance pr<strong>of</strong>iles<strong>of</strong> real catalysts (Figure 2) and the ideal pr<strong>of</strong>ile (Figure 3). The correlation betweenyield and similarity is significant. Therefore, the catalytic performance pr<strong>of</strong>ilingappears to be a fast and unerring method for pre-selection <strong>of</strong> catalysts for hydrogenation<strong>of</strong> multi-functional substrates.94Figure 5.Correlationbetween yield inhydroxy-alkaneand similarityvalue derivedfrom pr<strong>of</strong>ilinganalysisYield (sat. alcohol) / %9290888684821,7 1,9 2,1 2,3 2,5 2,7 2,9Similarity (Euclidian distance)

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