System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process
AssigneeBayer Aktiengesellschaft
InventorsThomas MRZIGLOD, Lynn WÜRTH, Tom MAES, Kai Christopher WELLNER, Stephan TOSCH, Christian BOCK
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Abstract
The present disclosure generally relates to the field of model-based quality prediction of a chemical compound-and/or of a formulation thereof as the outcome of a production process comprising more than one sub-process. It further relates to a solution for root cause analysis of variations of one or more quality attributes of said product or formulation thereof.
Claims16
A computer implemented method for predicting values for product quality attributes of a chemical compound or of a formulation thereof as a final or intermediate product of a production process, said production process comprising more than one sub-processes, wherein said production process and/or sub-processes thereof are characterized by process parameters and corresponding time series data for a prediction instance, said method comprising:
- providing at least one quality-prediction model of the production process, wherein said quality-prediction model specifies or represents mathematical relationships between one quality attribute and process parameters of the production process and/or of sub-processes thereof,
- receiving process time series data for a new prediction instance,
- calculating derived quantities as required by the quality-prediction model(s),
- executing the quality-prediction model(s) by feeding the process time series data and/or the derived quantities thereof, generating prediction results for the quality attribute(s), and
- outputting the prediction results for the quality attribute(s) as a single quality value or as a curve as the case may be.
A computing system for product-quality prediction comprising elements configured to:
- provide at least one quality-prediction model of the production process, wherein said quality-prediction model specifies or represents mathematical relationships between one quality attribute and process parameters of the production process and/or of sub-processes thereof,
- receive process time series data for a new prediction instance,
- calculate derived quantities as required by the quality-prediction model(s),
- execute the quality-prediction model(s) by feeding the process time series data and/or the derived quantities thereof, generating prediction results for the quality attribute(s), and
- output the prediction results for the quality attribute(s) as a single quality value or as a curve as the case may be.
A non-transitory computer readable storage medium storing one or more programs, the one or more programs comprising instructions, which when executed by an electronic device, cause the device to to:
- provide at least one quality-prediction model of the production process, wherein said quality-prediction model specifies or represents mathematical relationships between one quality attribute and process parameters of the production process and/or of sub-processes thereof,
- receive process time series data for a new prediction instance,
- calculate derived quantities as required by the quality-prediction model(s),
- execute the quality-prediction model(s) by feeding the process time series data and/or the derived quantities thereof, generating prediction results for the quality attribute(s), and
- output the prediction results for the quality attribute(s) as a single quality value or as a curve as the case may be.
Dependencies are inferred from the claim text.