Abstract:

The structure parameters EHOMO, ELUMO, q+, q-, μ, Etotal of seventeen solvents such as water, alcohols, aldehydes, esters, fluoroalkanes were calculated at B3LYP/6-31G(d) level. Using error back-propagation(BP） algorithm artificial neural network(ANN), with 7 hidden layer units, the relationship between EHOMO, ELUMO, q+, q-, μ, Etotal, VM, ε, T and solubilities of hydrocortisone in various solvents at different temperatures were established. The solubilities of hydrocortisone in various conditions were predicted by the ANN with the average relative error of 7.0%.