Kisung and Galymzhan teamed up to assess the accuracy of various ML models for predicting bioactivity of small molecules. Read the article here!
The Fragility of Bioactivity Prediction: Rigorous Dataset Splits Expose the Illusion of ML Accuracy
Kisung Lee, Galymzhan Moldagulov & Bartosz A. Grzybowski*.
Chemistry - A European Journal, e71208 (2026). https://doi.org/10.1002/chem.71208
