Driving the future of cosmetics, fragrances, and foods with COSMO-RS. Part 1—Bibliometric analysis and introductory framework

This two-part review offers an in-depth survey of the utilization of the theoretical method COnductor-like Screening MOdel for Realistic Solvation (COSMO-RS) in the formulation of cosmetics, fragrances, and foods. In this first part, a bibliometric analysis and mapping of scientific literature and patents are performed. They reveal that COSMO-RS primarily serves as a screening tool for generating quantitative predictions regarding the solubilization, volatility, and extraction of formulation ingredients from biomass. This analysis also identifies the most relevant COSMO-RS applications and tools available for formulation. They are presented in a concise and accessible manner for formulators and specialty chemists involved in ingredient design. Finally, a focus is made on the applications of COSMO-RS in designing and modeling innovative and sustainable solvents, such as ionic liquids and (natural) deep eutectic solvents. The second part of the article will address the practical implementation of COSMO-RS in solving key formulation challenges. [Display omitted] •COnductor-like Screening MOdel for Realistic Solvation (COSMO-RS) effectively predicts solubilization, volatility, and partition of formulation ingredients.•A user-friendly presentation of COSMO-RS theory is provided.•COSMO-RS is a powerful tool for designing natural deep eutectic solvents and ionic liquids.