17804551. RETROSYNTHESIS AND PROXY CHEMICALS FOR LIFE-CYCLE ASSESSMENT simplified abstract (Microsoft Technology Licensing, LLC)

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RETROSYNTHESIS AND PROXY CHEMICALS FOR LIFE-CYCLE ASSESSMENT

Organization Name

Microsoft Technology Licensing, LLC

Inventor(s)

Jake Allen Smith of Seattle WA (US)

Bichlien Hoang Nguyen of Seattle WA (US)

Kali Diane Frost of Indianapolis IN (US)

RETROSYNTHESIS AND PROXY CHEMICALS FOR LIFE-CYCLE ASSESSMENT - A simplified explanation of the abstract

This abstract first appeared for US patent application 17804551 titled 'RETROSYNTHESIS AND PROXY CHEMICALS FOR LIFE-CYCLE ASSESSMENT

Simplified Explanation

The patent application describes a computing system that can assist in conducting life cycle assessments (LCAs) for chemical products. It uses a trained model to select proxy chemicals when the primary chemical's structure is not available in a life-cycle inventory (LCI). The system then incorporates the proxy chemical's LCI data into the estimated LCI for the LCA.

  • The computing system includes a processor and memory with executable instructions.
  • It receives a chemical structure input and retrieves retrosynthetic step data based on the input.
  • It identifies the primary chemical used as a starting material in a retrosynthetic step.
  • If the primary chemical's structure is not available in the LCI, the system uses a trained proxy chemical selection model.
  • The model selects a proxy chemical for which an LCI is available.
  • The system obtains the proxy chemical's LCI data and includes it in the estimated LCI for the LCA.

Potential Applications

  • Conducting life cycle assessments (LCAs) for chemical products.
  • Assisting in the selection of proxy chemicals when primary chemical data is unavailable.

Problems Solved

  • Lack of primary chemical data in life-cycle inventories (LCIs) for conducting accurate LCAs.
  • Difficulty in selecting appropriate proxy chemicals for estimating LCIs.

Benefits

  • Enables more comprehensive and accurate LCAs by incorporating proxy chemical data.
  • Improves the efficiency of conducting LCAs by automating the selection of proxy chemicals.
  • Facilitates the assessment of environmental impacts of chemical products.


Original Abstract Submitted

A computing system is provided. The computing system comprises a processor, and memory comprising instructions executable by the processor to receive a chemical structure input, obtain retrosynthetic step data based on the chemical structure input, determine a chemical structure of a primary chemical in the retrosynthetic step data, the primary chemical being a chemical used as a starting material in a retrosynthetic step, when the structure of the primary chemical is not available in a life-cycle inventory (LCI), input the primary chemical into a trained proxy chemical selection model to select a proxy chemical for which an LCI is available, and obtain proxy chemical LCI data to include in an estimated LCI for a life cycle assessment (LCA).

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