Strong absolute accuracy on mixture properties often masks poor recovery of non-ideal behavior, with large drops under strict molecule splits, making transfer to unseen molecules the central challenge.
Group-contribution estimation of activity coefficients in nonideal liquid mixtures
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
years
2026 2verdicts
UNVERDICTED 2representative citing papers
openCOSMO-RS-Phi extends openCOSMO-RS to a full equation of state by adding a free-volume pseudo-component, fits four parameters per compound to vapor-pressure and liquid-volume data, and matches the accuracy of the prior COSMO-SAC-Phi model on benchmark databases while remaining fully open-source.
citing papers explorer
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A Systematic Evaluation of Molecular Mixture Behavior Prediction
Strong absolute accuracy on mixture properties often masks poor recovery of non-ideal behavior, with large drops under strict molecule splits, making transfer to unseen molecules the central challenge.