@misc{indiciaef7a400c33791, title = {Evaluating Autonomous LLM Agents Across Molecular Prediction and Optimization Benchmarks}, author = {Smbatyan, K. and Ghukasyan, T. and Petrosyan, G.}, year = {2026}, doi = {10.64898/2026.10.01.755314}, url = {https://www.biorxiv.org/content/10.64898/2026.10.01.755314v1}, note = {Source identifier: 10.64898/2026.10.01.755314} }