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About molecular properties prediction.

MolLogP (octanol/water partition coefficient)

MolLogS (water solubility Log(Mol/L))

MolPSA (Molecular Polar Surface Area (PSA) and Volume)

PSA is defined as sum of surfaces of oxygens, nitrogens and attached hydrogens.

Drug-likeness score

Predicts an overall drug-likeness score using and Molsoft's chemical fingerprints. The training set for this mode consisted of:


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