Publication

About the Platform

This web server predicts the biological activity of chemical compounds against the CXCR4 receptor using experimentally validated machine learning models. Users can draw molecules, paste SMILES or upload CSV files for batch prediction.

Supported Machine Learning Models
AdaBoost Random Forest SVM KNN Decision Tree Logistic Regression

✔ Single Molecule Prediction
✔ Batch Prediction
✔ CSV Upload
✔ Molecular Sketching (JSME)
✔ PDF & CSV Export

CXCR4 Inhibitor Prediction

0 molecule(s)
  • Enter one SMILES per line.
  • Draw molecules using the sketcher.
  • Click Add Drawn Molecule.
  • You can also upload a CSV containing a SMILES column.
CSV must contain a column named SMILES.