WPI Predict

Machine Learning for Molecular Property Prediction

WPI Predict is an academic research platform developed at Worcester Polytechnic Institute that predicts molecular properties from SMILES chemical structures using experimentally trained machine learning models.

Select a prediction model from the Models menu, enter a valid SMILES string, and run a prediction.

Example SMILES: CCO (Ethanol) • O (Water) • c1ccccc1 (Benzene)

Run Prediction

Instructions

  1. Select a prediction model from the Models menu.
  2. Enter or paste a valid SMILES string.
  3. Click Run Prediction.
  4. Review the prediction results.

Current Prediction Models

  • LogP
  • Boiling Point
  • Melting Point
  • Enthalpy of Vaporization
  • Enthalpy of Fusion
  • Hansen Solubility Parameters
Research Notice

WPI Predict is an academic research platform under active development. Prediction models are intended for research, educational, and computational chemistry applications. Predictions should be used to support research workflows and should not replace experimental measurements.