| 摘要 |
<p>Selecting a catalyst useful for chemical transformation of a reaction motif comprises acquiring data relating to the transformation, searching a database comprising information on the reactivity of catalysts with respect to reaction motifs listed in the database and present in reactivity probes to identify a reaction motif, and selecting a catalyst with the required reactivity as a function of the reaction motif and the transformation. - Selecting (M1) a catalyst useful for chemical transformation of a reaction motif comprises acquiring data relating to the transformation and optionally the structural environment of the reaction motif, searching a database comprising information on the reactivity of a set of catalysts with respect to reaction motifs listed in the database and present in reactivity probes to identify a reaction motif related to the motif to be transformed, and selecting a catalyst with the required reactivity from the database as a function of the reaction motif thus identified and the transformation to be carried out. - An INDEPENDENT CLAIM is also included for providing a catalyst for transforming a reaction motif of a compound by a given reaction by selecting a catalyst by (M1) and providing (especially manufacturing) the catalyst.</p> |
