Method and system for selecting a best case set of factors for a chemical reaction

Abstract

A method selects a best case set of factors of a chemical reaction by defining a chemical experimental space by (i) identifying relationships between factors of a candidate chemical reaction space; and. (ii) detemininig a chemical experimental space comprising a table of test cases for each of the factors based oil the identified relationships between the factors with the identified relationships based oil researcher specified n-tuple combinations between identities of the relationships. A combinatorial high throughput screening (CHTS) method is effected on1 the chemical experimental space to select the best case set of factors. A system for selecting a best case set of factors of a chemical reaction, comprises a processor, reactor and an evaluator. The processor defines a chemical experimental space by (i) identifying relationships between factors of a candidate chemical reaction space; and (ii) determining the chemical experimental space comprising a table of test cases for each of the factors based o01 the identified relationships between the factors with the identified relationships based on researcher specified n-tuple combinations between identities of the relationships. The reactor and evaluator select a best case set of factors from the chemical experimental space by a combinatorial high throughput screening (CHTS) method to select a best case set of factors.

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