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Support vector machines (SVMs), as a novel type of learning machine, were used to develop a quantitative structure–property relationship (QSPR) model to predict the gas-to-heptane and gas-to-hexadecane solvation enthalpies (ΔHSolv) of various organic compounds based on molecular descriptors calculated from the structure alone. Partial least squares (PLSs) and artificial neural network (ANN) were...
Enthalpies of solution at infinite dilution of 53 organic solutes in dichloromethane and 10 organic solutes in 1,4-dioxane were measured using semi-adiabatic solution calorimeter. Enthalpies of solvation for 103 organic vapors and gaseous solutes in dichloromethane and for 116 gaseous compounds in 1,4-dioxane were determined from the experimental and literature data. It is shown that an Abraham solvation...
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