Tag: toxicity prediction

A new review in Frontiers in Bioinformatics surveys how machine learning and deep learning models are reshaping toxicity prediction across ...

Machine learning is accelerating target identification, toxicity prediction and drug repurposing, but researchers insist algorithmic discoveries still demand rigorous experimental ...

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 ...