Sustainable chemistry metrics
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Updated: Jun 20, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Francisco García Calvo-Flores1
1Grupo de Modelización Molecular, Departamento de Química Orgánica, Facultad de Ciencias, Universidad de Granada,18071 Granada, Spain. fgarciac@ugr.es
Abstract:
Green chemistry has developed mathematical parameters to describe the sustainability of chemical reactions and processes, in order to quantify their environmental impact. These parameters are related to mass and energy magnitudes, and enable analyses and numerical diagnoses of chemical reactions. The environmental impact factor (E factor), atom economy, and reaction mass efficiency have been the most influential metrics, and they are interconnected by mathematical equations. The ecodesign concept must also be considered for complex industrial syntheses, as a part of the sustainability of manufacturing processes. The aim of this Concept article is to identify the main parameters for evaluating undesirable environmental consequences.
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