Utilizing AI to determine complex chemical synthesis chains and drive sustainability

As industries face mounting pressure to reduce their carbon footprint, the need for accurate, credible, and granular insights into product sustainability is paramount. At Muir, we are committed to empowering organizations across sectors with cutting-edge tools that deliver actionable results in a fraction of the time of traditional methods. While our Platform is designed to be industry-agnostic, its advanced capabilities make it an invaluable resource for sophisticated users, including Life Cycle Assessment (LCA) and sustainability specialists, subject-matter experts, and procurement professionals.

Performing LCAs via traditional methodologies is often a tedious and resource intensive process for complex products, such as novel chemical compounds. With the Muir Platform platform, users are now able to generate granular product carbon footprint data, leveraging our third-party assured ISO 14067 methodology, based on simple product descriptions. In the case study below, we demonstrate our system’s ability to understand complex chemical synthesis processes and drive deeper intelligence to our customers.

Case Study: Demonstrating Deep Expertise in Chemical Reaction Processes 

Recently, Muir has been working with a customer in the specialty chemicals sector to enable a scalable evaluation of their purchased chemicals. The customer’s LCA specialists were tasked with undertaking comprehensive evaluations of individual products, but with limited information on the chemicals’ precursor inputs and reaction processes, it was difficult to assess the chemicals with high confidence. With the Muir Platform, the customer can generate analysis for multiple products at once, using the chemical name and manufacturing location as the primary inputs. 

One of the chemicals analyzed during this process is 1-ethoxy-2,3-difluorophenyl-4-boronic acid (a boronate). As part of the material inflow modeling, Muir identified the chemical Bis(pinacolato)diboron as a key precursor in the boronate’s synthesis.

After reviewing the results, the customer LCA Specialist believed that the use of Bis(pinacolato)diboron was mistakenly identified as a precursor chemical. The Specialist consulted with organic synthesis chemists to review Muir’s results. Their review indicated that Bis(pinacolato)diboron is used in a chemical reaction process called the Miyaura Borylation Reaction, which is a specialized chemical process that can be used to create the boronate. 

Based on the review from the organic synthesis chemists, our customer's LCA Specialist confirmed that the PCF Muir produced for the chemical, and the underlying mass flows, are reasonable. 

This example highlights Muir’s ability to produce credible, expert-validated insights, empowering subject-matter experts to rapidly understand the likely composition and production processes of the products used in their manufacturing processes, even in limited data environments.

Driving Credibility and Confidence

By enabling granular, reliable insights, Muir is transforming the way industries approach sustainability. Our work with this chemical industry customer demonstrates how our platform empowers experts to benchmark carbon emissions, understand complex supply chains, and confidently make informed decisions.

At Muir, we are committed to creating solutions that blend advanced AI with the expertise of subject-matter specialists. Together, we can accelerate progress toward a more sustainable future.

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Discover More: Contact our team to learn how Muir can support your organization’s sustainability goals today.

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