Auxiliary datasets for Generative structural elucidation from mass spectra as a iterative optimization problem

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Mrunali Manjrekar, Runzhong Wang, Samuel Goldman, Jenna C. Fromer, Connor W. Coley
DOI: 10.5281/zenodo.18502040
Cited by: 0

Fields of Study & Subjects

Mass Spectrometry Techniques and Applications Computational Drug Discovery Methods Metabolomics and Mass Spectrometry Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
6 February 2026
Document type
Dataset