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DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data.
Kim HW, Zhang C, Reher R, Wang M, Alexander KL, Nothias LF, Han YK, Shin H, Lee KY, Lee KH, Kim MJ, Dorrestein PC, Gerwick WH, Cottrell GW. Kim HW, et al. J Cheminform. 2023 Aug 7;15(1):71. doi: 10.1186/s13321-023-00738-4. J Cheminform. 2023. PMID: 37550756 Free PMC article.
A Multi-Omics Characterization of the Natural Product Potential of Tropical Filamentous Marine Cyanobacteria.
Leão T, Wang M, Moss N, da Silva R, Sanders J, Nurk S, Gurevich A, Humphrey G, Reher R, Zhu Q, Belda-Ferre P, Glukhov E, Whitner S, Alexander KL, Rex R, Pevzner P, Dorrestein PC, Knight R, Bandeira N, Gerwick WH, Gerwick L. Leão T, et al. Mar Drugs. 2021 Jan 6;19(1):20. doi: 10.3390/md19010020. Mar Drugs. 2021. PMID: 33418911 Free PMC article.
Propagating annotations of molecular networks using in silico fragmentation.
da Silva RR, Wang M, Nothias LF, van der Hooft JJJ, Caraballo-Rodríguez AM, Fox E, Balunas MJ, Klassen JL, Lopes NP, Dorrestein PC. da Silva RR, et al. PLoS Comput Biol. 2018 Apr 18;14(4):e1006089. doi: 10.1371/journal.pcbi.1006089. eCollection 2018 Apr. PLoS Comput Biol. 2018. PMID: 29668671 Free PMC article.