A nearest-neighbor-like method using sigma-profile similarity predicts infinite-dilution activity coefficients more accurately than modified UNIFAC and COSMO-SAC variants on a DDB data set.
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Prediction of Activity Coefficients by Similarity-Based Imputation using Quantum-Chemical Descriptors
A nearest-neighbor-like method using sigma-profile similarity predicts infinite-dilution activity coefficients more accurately than modified UNIFAC and COSMO-SAC variants on a DDB data set.