Nature

Enhancing classification accuracy in medical datasets using a hybrid distance and cluster refinement-based K-means clustering method

Machine learning methods, especially the K_Means clustering method, have demonstrated potential in analyzing medical data by facilitating pattern detection. However, the classic K_Means algorithm ...
Nature

Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology

Polypharmacology, a single drug that targets multiple proteins, holds promise for addressing unmet medical needs. Achieving accurate, reliable and scalable predictions of protein–ligand binding ...