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

• Main Author: CAWSE JAMES NORMAN
• Format: Patent
• Language: English
• Published: 27.04.2004
• Edition: 7
• Subjects: CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOIDCHEMISTRY; CHEMISTRY; COMBINATORIAL CHEMISTRY; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES; METALLURGY; PERFORMING OPERATIONS; PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL; PHYSICS; THEIR RELEVANT APPARATUS; TRANSPORTING

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) determining a chemical experimental space comprising a table of test cases for each of the factors based on the identified relationships between the factors with the identified relationships based on researcher specified n-tuple combinations between identities of the relationships. A combinatorial high throughput screening (CHTS) method is effected on 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 on 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.