2024-10-16
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For downloading myPresto newest version. myPresto is a program suite composed of several molecular simulations for drug development.
PropPred_191217 released
PropPred is a tool for predicting physical properties of low molecular weight compounds and medium molecules using regression learning. Using learned data, predicted values of membrane permeability coefficient (LogPa, apparent permeability), distribution coefficient considering ionization (LogD, distribution coefficiene), and solubility (LogS) can be calculated.
Y. Fukunishi, T. Mashimo, T. Kurosawa, Y. Wakabayashi, H.K. Nakamura, K. Takeuchi. “Prediction of Passive Membrane Permeability by Semi‐Empirical Method Considering Viscous and Inertial Resistances and Different Rates of Conformational Change and Diffusion.” Molecular informatics, 2019:38, 1900071