Patent ID: 6728641
Filing Date: 2004-04-27
Classification: B01J,C40B,G16B,G16C

Abstract:
A method for selecting a best case set of factors of a chemical reaction, comprising;defining a chemical experimental space by (i) identifying relationships between factors of a candidate chemical reaction space wherein the factors comprise a catalyst system and conditions; and (ii) determining said chemical experimental space comprising a table of test cases for each of said factors based on said identified relationships between said factors with said identified relationships based on researcher specified n-topple combinations between identities of said relationships; and effecting a combinatorial high throughput screening (CHTS) comprising (A) (a) reacting a reactant selected from said experimental space under a selected set of catalysts; and (b) evaluating a set of products of said reacting step to identify best sets of catalysts and reaction conditions; and (B) reiterating step (A) wherein a selected experimental space selected for a step (a) is chosen as a result of an evaluating step (b) of a preceding iteration of step (A) to select a best case set of factors from said chemical experimental space.