Language of Toxicity: An eXplainable Artificial Intelligence Approach
Toxicity prediction in small molecules represents a fundamental challenge in drug development and chemical safety assessment. Traditional approaches heavily rely on predefined molecular descriptors or fingerprints, potentially limiting the ability to capture complex and nonlinear structure–activity relationships. Her...
N. Amoroso, E. Pantaleo, Fulvio Ciriaco et al.
· Journal of Chemical Informat... · 0 citations