Abstract: Green chemistry has transformed chemical innovation by introducing quantitative metrics. However, favorable values for these metrics do not automatically translate into ecological sustainability. A chemical process comprises a dynamic mixture of reagents, catalysts, solvents, intermediates, byproducts, residual feedstocks, and waste streams, each contributing to its overall toxicological footprint. This review argues that toxicity assessment should shift from a compound-centered perspective to a process-level evaluation that considers how toxicological burden is created, transformed, displaced, concentrated, diluted, or released throughout a process life cycle. We propose an ecology-by-design framework that integrates reaction inventories, toxicological endpoints, new approach methodologies, Life Cycle Assessment, USEtox characterization, safe-and-sustainable-by-design principles, and machine-learning-enabled data infrastructures. The ultimate objective is a chemical industry in which ecological performance is optimized alongside yield, selectivity, productivity, energy use, carbon footprint, and cost.

Cite: Kolesnikov A. , Goncharova K. , Ananikov V.
Ecology-by-design: process-level toxicity assessment as the compass for a tox-minimized chemical industry
Reports of NAS RA. 2026. V.126. N2. 5 . DOI: 10.54503/0321-1339-2026.126.2-5 OpenAlex

Dates:

Submitted:	Jun 4, 2026
Published online:	Jul 27, 2026

Identifiers:

≡ OpenAlex:

W7203455002

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