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7. (WO2018071072) CHEMICAL SUBSTRUCTURE SEARCH QUERY BUILDING AND EXECUTION

Pub. No.:    WO/2018/071072    International Application No.:    PCT/US2017/040751
Publication Date: Fri Apr 20 01:59:59 CEST 2018 International Filing Date: Thu Jul 06 01:59:59 CEST 2017
IPC: G06F 17/30
Applicants: ZYMERGEN INC.
Inventors: DEAN, Erik, Jed
SAFIR, Adam
WERNER, Gregory
Title: CHEMICAL SUBSTRUCTURE SEARCH QUERY BUILDING AND EXECUTION
Abstract:
Systems and methods for enabling construction of a complex Boolean chemical substructure query in a structured graphical user interface are provided. The chemical substructures (molecules) may be represented graphically in standard molecular notation, and may be arranged horizontally and vertically on the interface, along with Boolean logical operators. Boolean logical operators of a first type may logically associate molecules arranged in horizontal fashion to form row queries, whereas Boolean logical operators of a different, second type may logically associate the row queries to form a composite query to be applied to a database of molecules. The operators of the first type may comprise disjunctive operators, whereas the operators of the second type may comprise conjunctive operators.