Welcome to DeepMass Version 2.0
DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite
annotation via semantic similarity analysis of mass spectral language. This approach enables the
prediction of structurally related metabolites for the unknown compounds. By considering the
chemical space, these structurally related metabolites provide valuable information about the
potential location of the unknown metabolites and assist in ranking candidates obtained from
molecular structure databases.
Citing the DeepMass software:
- Yang, Q.#; Ji, H.#; Xu, Z.; Li, Y.; Wang, P.; Sun, J.; Fan, X.; Zhang, H.; Lu, H.; Zhang, Z. Ultra-Fast and Accurate Electron Ionization Mass Spectrum Matching for Compound Identification with Million-Scale in-Silico Library. Nat. Commun. 2023, 14 (1), 3722. (#Co-first author)
- Ji, H.; Xu, Y.; Lu, H.; Zhang, Z. Deep MS/MS-Aided Structural-Similarity Scoring for Unknown Metabolite Identification. Anal. Chem. 2019, 91 (9), 5629–5637.