Tag: toxicity prediction

A new study in Discover Chemistry shows how artificial intelligence, machine learning, and computational chemistry can predict the toxicity of ...

A new dual-view graph neural network called HD-SKRG achieves state-of-the-art few-shot molecular property prediction by combining hierarchical atom and functional-group ...

Researchers have developed an AI-driven multi-species toxicokinetic model that predicts tissue-specific chemical exposure and toxicity across 151 freshwater and marine ...