Pharmacology & ToxicologyComputational ToxicologyPeer-reviewed
Benchmarking Artificial Intelligence Models for Predicting Nuclear Receptor Activity from Tox21 Assays
Nikhil Chivukula, Jaisubasri Karthikeyan, Harshini Thangavel…·Areejit Samal
This study benchmarks AI models for predicting nuclear receptor activity using Tox21 assays, finding that tree-based models perform better on imbalanced data while deep learning shows robustness on moderate imbalances.