BeeEcoTox : An intelligent platform for predicting ecotoxicities of agrochemicals to bees

BeeEcoTox is a promptable toxicity prediction platform.The platform concurrently processes molecular graphs, SMILES sequences, and MACCS fingerprints, leveraging ChemFM-1B and Enhanced Graph Isomorphism Network (Enhanced GIN) to deliver robust predictions for bee ecotoxicity research.

designed for bee ecotoxicity research, capable of performing "one-click" automatic toxicity prediction from chemical SMILES strings, providing efficient and standardized assessment support for environmental safety evaluation.

Start Prediction
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📖 How to Use

1

Enter SMILES

Input the SMILES string of the compound you want to predict, or upload a CSV/Excel file for batch prediction.

2

Click Predict

Click the "Predict" button and wait for the model to process. The system will analyze molecular structure and properties.

3

View Results

Check the toxicity prediction (TOXIC/NON-TOXIC), applicability domain (IN DOMAIN/OUT OF DOMAIN), and GNN explanation visualization.

Molecular Structure

Molecular structure will be displayed here

GNN Explanation

GNN explanation will be displayed here

Batch Prediction Results

Batch prediction results will appear here