Propersea - Property Prediction

We are pleased to announce the release of Propersea for final stage testing and feedback. Propersea is a newly developed online resource, designed to provide predictions for a range of molecular and physicochemical properties for small molecules. The predicted properties include: melting point, boiling point, density, logP, solubility, polarizability, pKa and more. It will also predict the IUPAC name for the molecule.

This resource provides a search interface, in a similar way to our Chemical Availability Service (ChASe) allowing a user to search by SMILES string, InChI or structure. Once the search is complete the user will be shown the results of the predictions for that molecule, including a realibility measure. 

For more information about Propersea, including our IUPAC naming model you can find a factsheet on our Learning page, or the Propersea info page under our Resources.

If you would like to discuss our resource development or have any feedback please get in contact with us via email to support@psds.ac.uk