NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα Receptor. - Ishir Rao (CoRR, 2023)

Modeling and Optimization of Epidemiological Control Policies Through Reinforcement Learning. - Ishir Rao (CoRR, 2024)

Information Capacity of EEG: Theoretical and Computational Limits of Recoverable Neural Information. - Ishir Rao (CoRR, 2025)

Prediction Is Not Physics: Learning and Evaluating Conserved Quantities in Neural Simulators. - Andrew Bukowski; Aditya Kothari; Simba Shi; Ishir Rao (CoRR, 2026)