BotanicalTox

Plant Toxicity Prediction Website

Upload compound data, train Random Forest models, and predict new molecules — all from your browser.

Train a Model

Upload a CSV with SMILES and labels. The system will extract molecular descriptors, train a Random Forest classifier, and show evaluation metrics and graphs.


CSV or Excel files
Activity & Toxicity training
ROC curves & confusion matrices
Train Model

Predict Compounds

Upload new compounds (SMILES) and get instant activity and toxicity predictions using the trained models. Download results as CSV.


SMILES auto-detection
Activity & Toxicity scores
Downloadable results
Predict

Search by Plant

Enter a plant name and optionally upload a photo. The system searches PubChem for known compounds and predicts their activity & toxicity.


Plant photo upload
PubChem compound search
Auto SMILES extraction
Plant Search

Rank Compounds

Predict and rank compounds by combined drug-likeness score. Find the top 15 best candidates — highest activity, lowest toxicity.


Combined Activity−Toxicity score
Top 15 ranked display
Downloadable ranking CSV
Rank Compounds
RDKit
Molecular Descriptor Engine
211+
Descriptors per Compound
Random Forest
Machine Learning Algorithm