DOI: 10.1039/d6dd00275g ISSN: 2635-098X
An accessible property classification framework to predict the solubility of functionalised naphthalenes and rylenes in organic solvents
Connor R. M. MacDonald, Alex S. Loch, Neil G. Berry, Emily R. DraperWe show through a proof-of-concept dataset for naphthalenes and rylenes that solubility can be effectively classified with sufficient high-quality training data, and highlight the need for standardised characterisation procedures.