# Lignocellulose fractionation

A deep eutectic solvent is a multicomponent hydrogen-bond network of acceptors, donors and solutes, so its solubility cannot be read off the properties of individual constituents. TiNN represents the process in two stages, first forming the acceptor-donor environment and then accommodating the solute, and constrains the temperature and pressure response through a learned free-energy pathway, reaching a test-set $R^2$ of 0.917 on 938 records. In new measurements of glucose, xylan and Kraft lignin in acidic, basic and neutral deep eutectic solvents, TiNN reduces the geometric mean fold error of solubility from more than 23 for COSMO-RS to about 1.5.

A deep eutectic solvent is a multicomponent hydrogen-bond network of acceptors, donors and solutes, so its solubility cannot be read off the properties of individual constituents. TiNN represents the process in two stages, first forming the acceptor-donor environment and then accommodating the solute, and constrains the temperature and pressure response through a learned free-energy pathway, reaching a test-set $R^2$ of 0.917 on 938 records. In new measurements of glucose, xylan and Kraft lignin in acidic, basic and neutral deep eutectic solvents, TiNN reduces the geometric mean fold error of solubility from more than 23 for COSMO-RS to about 1.5.