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Our SMILES chemistry molecule predictor uses an RNN to assess toxicity. Trained on labeled SMILES data, it learns chemical patterns to predict toxicological risks, helping identify hazardous compounds early in the drug or material design process.
SMILES Toxicity Predictor (Using RNN ML)Toxicity Drug (Molecule) Predictor Using SMILES String
Sohail Mahmoodleft a comment
Developed in collaboration with Mohawk College, ON, CA.
SMILES Toxicity Predictor (Using RNN ML)Toxicity Drug (Molecule) Predictor Using SMILES String