@article{generativestructuralelucidationfrommasss, title = {Generative structural elucidation from mass spectra as an iterative optimization problem}, author = {Mrunali Manjrekar and Runzhong Wang and Samuel Goldman and Jenna C. Fromer and Connor W. Coley}, year = {2026}, eprint = {2602.07709}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2602.07709}, }