Synthetic pathway engine
AssigneeInternational Business Machines Corporation
InventorsBrandon M. Kobilka, Joseph Kuczynski, Jason T. Wertz
Life of this patent
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Abstract
A process includes receiving information associated with a target molecule to be synthesized via a synthetic pathway engine user interface. The process also includes determining, using a synthetic pathway engine, synthetic pathway data for synthesis of the target molecule. In some cases, the process further includes generating a synthetic pathway report user interface that includes information associated with the synthetic pathway data. In other cases, the process further includes initiating automated synthesis of the target molecule using automated chemical synthesis equipment according to the synthetic pathway data.
Claims20
A computer-implemented method for developing new materials through chemical synthesis, wherein a processor of a computing device that is communicatively coupled to automated chemical synthesis equipment is programmed to execute software instructions that cause the processor to perform the computer-implemented method, the computer- implemented method comprising:
- receiving, by the processor via a communicatively coupled synthetic pathway engine user interface, information associated with a target molecule to be synthesized;
- determining, by the processor using a synthetic pathway engine stored in the computing device, synthetic pathway data by analyzing synthetic procedure data that is stored in one or more communicatively coupled databases, wherein the synthetic procedure data was extracted by one or more analytics systems from scientific literature stored in the one or more communicatively coupled databases, wherein the synthetic pathway data comprises synthetic procedure information for synthesis of the target molecule;
- generating, by the processor, a synthetic pathway report user interface that includes information associated with the synthetic pathway data, wherein the information associated with the synthetic pathway data comprises input for one or more starting materials, one or more process equipment, one or more process parameters, and one or more procedures for synthesizing the target molecule;
- and
- initiating, by the processor, automated synthesis of the target molecule using the communicatively coupled automated chemical synthesis equipment according to the synthetic pathway data, wherein the automated chemical synthesis equipment includes one or more reservoirs, one or more chemical reaction chambers, and one or more purification systems.
A computer-implemented method for developing new materials through chemical synthesis, wherein a processor of a computing device that is communicatively coupled to automated chemical synthesis equipment is programmed to execute software instructions that cause the processor to perform the computer-implemented method, the computer-implemented method comprising:
- receiving, by the processor via a communicatively coupled synthetic pathway engine user interface, information associated with a target molecule to be synthesized;
- determining, by the processor using a synthetic pathway engine stored in the computing device, synthetic pathway data by analyzing synthetic procedure data that is stored in one or more communicatively coupled databases, wherein the synthetic procedure data was extracted by one or more analytics systems from scientific literature, patent applications, or patents located on the one or more communicatively coupled databases, wherein the synthetic pathway data comprises synthetic procedure information for synthesis of the target molecule;
- generating, by the processor, a synthetic pathway report user interface that includes information associated with the synthetic pathway data, wherein the information associated with the synthetic pathway data comprises input for one or more starting materials, one or more process equipment, one or more process parameters, and one or more procedures for synthesizing the target molecule;
- receiving, by the processor, an input confirming acceptance of the synthetic pathway data;
- and
- initiating, by the processor, automated synthesis of the target molecule using communicatively coupled automated chemical synthesis equipment according to the synthetic pathway data, wherein the automated chemical synthesis equipment includes one or more reservoirs, one or more chemical reaction chambers, one or more purification systems, and one or more instrumentation systems.
Dependencies are inferred from the claim text.