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Data from: A proxy method to bridge LCA data gaps using automated material classification and probabilistic under-specification

Ellingboe, Ethan1; Huang, Monica1; Sultana Priyota, Azeezah1; Simonen, Kathrina1

Published Apr 22, 2026; Updated Apr 30, 2026 on Dryad. https://doi.org/10.5061/dryad.h44j0zq16

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Apr 22, 2026 version files 123.68 KB
Apr 30, 2026 version files 124.34 KB

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Abstract

Life cycle assessments (LCAs) are essential for understanding the environmental impacts of material production. However, gaps in life cycle inventory (LCI) data for material and chemical inputs present a key challenge for LCA practitioners, especially in the early design stages. Strategies for filling in these gaps require additional time and expertise, which can hinder the LCA’s completion. This dataset is the result of classifying existing LCI data for chemical and material production processes by the product’s chemical structure, then evaluating environmental impact distributions of all chemicals and materials within a chemical group. LCI data for this dataset was collected from the Federal LCA Commons, and the open-source web tool ClassyFire was used to classify products by their chemical structure into the ChemOnt chemical taxonomy. This results in a dataset of environmental impact distributions based on existing LCI data and chemical structure, appropriate to be used as proxy environmental impact data for chemicals or specialty materials when data specific to that product does not exist. This dataset includes descriptive statistics, specifically the minimum, 20th percentile, median, 80th percentile, and maximum environmental impact for each environmental impact and chemical entity group. The environmental impacts evaluated are Global Warming Potential (GWP, evaluated using IPCC AR5 characterization factors), Acidification Potential (AP), Eutrophication Potential (EP), Ozone Depletion Potential (ODP), and Photochemical Oxidant Creation Potential (POCP). Input materials with data gaps may be classified into the same chemical taxonomy, where proxy environmental impact values can be selected from the available distributions to quickly fill in any data gaps. For an example of how this data may be used, please see the associated spreadsheet tool in the Supplemental Information section. The methods used to create dataset were applied to classify material production processes available in the Federal LCA Commons in this dataset, however could be similarly applied to other LCA databases.