Welcome to SolPred

The name derived from the word "Solubility" and "Prediction"

It is a web app to predict the solubility of molecules using machine learning models.

EASY TO USE JUST SMILE :)

How to use it?

You can try the app from here then open the sidebar from the left side by clicking on the small arrow at the top of the page then you will be able to:

1. Enter the SMILES string of the molecule in the text input in the sidebar then click on the "Predict" button. There is a molecule already entered as an example.
2. You can also upload a CSV file containing the SMILES strings of the molecules in a column named "SMILES".
3. You can also view the 3D structure of the molecule by clicking on the "Show 3D structure" button in the sidebar.

Model Training

The model was trained over 10397 unique compounds and it has the accuracy of R^2 equals 0.775817, MAE equals 0.731621 and RMSD equals 1.094537.

Enjoy using the app and don't forget to share it with your friends and colleagues