《Multiscale Mechanism-Embedded Machine Learning Strategy Enabling Accurate Diffusion Behavior Prediction》

The Data including (1) the modeling datasets of binary, infinite dilution, and self diffusion coefficients (Systems, CAS, mole fraction, Temperature, pressure, experimental values, calculated values and reference) (2) the high-credibility databases of drug binary, infinite dilution, and self diffusion coefficients (Systems, CAS, mole fraction, temperature, pressure, calculated values and availability) (3) Comparison data of binary, infinite dilution (Drug systems, temperature, pressure, experimental values, calculated values, MD calculated values and reference)