2024
DOI: 10.1021/acs.jpcb.4c02196
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Planting the Seeds of a Decision Tree for Ionic Liquids: Steric and Electronic Impacts on Melting Points of Triarylphosponium Ionic Liquids

Marija Scheuren,
Lara Teodoro,
Andrew Witters
et al.

Abstract: While machine learning and artificial intelligence offer promising avenues in the computer-aided design of materials, the complexity of these computational techniques remains a barrier for scientists outside of the specific fields of study. Leveraging decision tree models, inspired by empirical methodologies, offers a pragmatic solution to the knowledge barrier presented by artificial intelligence (AI). Herein, we present a model allowing for the qualitative prediction of melting points of ionic liquids derive… Show more

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