SUSSOL-Using Artificial Intelligence for Greener Solvent Selection and Substitution.

ABSTRACT: Solvents come in many shapes and types. Looking for solvents for a specific application can be hard, and looking for green alternatives for currently used nonbenign solvents can be even harder. We describe a new methodology for solvent selection and substitution, by applying Artificial Intelligence (AI) software to cluster a database of solvents based on their physical properties. The solvents are processed by a neural network, the Self-organizing Map of Kohonen, which results in a 2D map of clusters. The resulting clusters are validated both chemically and statistically and are presented in user-friendly visualizations by the SUSSOL (Sustainable Solvents Selection and Substitution Software) software. The software helps the user in exploring the solvent space and in generating and evaluati

SUBMITTER: Sels H 

PROVIDER: S-EPMC7411708 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature