QSAR Model for ChEMBL Targets

This app uses a neural network model to predict the pIC50 values for compounds against two ChEMBL targets:

  • CHEMBL238 - Epidermal growth factor receptor erbB1
  • CHEMBL228 - Cytochrome P450 19A1

The model was trained on IC50 data from ChEMBL, preprocessed, and optimized using Optuna.

ChEMBL logo showing chemical structure and database icon

Enter a SMILES string to predict its activity: