ONS Challenge

Solubility Prediction in Any Solvent

Model Description
The solubility values are predicted using a model derived from a non-linear regression analysis of the Open Notebook Science solubility data. The model predicts the solubility of compounds in common solvents based upon data in the solvents: acetonitrile, chloroform, dmso, ethanol, methanol, thf, and toluene. You may also specify an additional optional solvent in the form below. If you would like a solubility prediction in an additional organic solvent, please enter its name, SMILES, dipole moment, and dielectric constant in additon to the solute name and SMILES below. Benzoic acid example.


Enter Solute Data
Solute Name:
Solute SMILES:* required
Optional Additional Solvent
Solvent Name:
Solvent SMILES:
Solvent Dipole Moment:
Solvent Dielectric Constant:
 
Please enter a SMILES for your solute.


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