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Browsing by Gerwick, William H.Author

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SCIESCOPUS
A universal language for finding mass spectrometry data patternsopen access

Damiani, Tito; Jarmusch, Alan K.; Aron, Allegra T.; Petras, Daniel; Phelan, Vanessa V.; Zhao, Haoqi Nina; Bittremieux, Wout; Acharya, Deepa D.; Ahmed, Mohammed M. A.; Bauermeister, Anelize, et al.

ArticleIssue Date2025CitationNature Methods, v.22, no.6, pp 1247 - 1254PublisherSpringer Nature
SCIESCOPUS
Artificial intelligence for natural product drug discovery

Mullowney, Michael W.; Duncan, Katherine R.; Elsayed, Somayah S.; Garg, Neha; van der Hooft, Justin J. J.; Martin, Nathaniel I.; Meijer, David; Terlouw, Barbara R.; Biermann, Friederike; Blin, Kai, et al.

ArticleIssue Date2023CitationNature Reviews Drug Discovery, v.22, no.11, pp 895 - 916PublisherNature Research
SCIESCOPUS
DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Dataopen access

Kim, Hyun Woo; Zhang, Chen; Reher, Raphael; Wang, Mingxun; Alexander, Kelsey L.; Nothias, Louis‑Félix; Han, Yoo Kyong; Shin, Hyeji; Lee, Ki Yong; Lee, Kyu Hyeong, et al.

ArticleIssue Date2023CitationJournal of Cheminformatics, v.15, no.1PublisherSpringer Nature Switzerland
SCIESCOPUS
Discovery of Novel Tyrosinase Inhibitors From Marine Cyanobacteriaopen access

He, Yifan; Suyama, Takashi L.; Kim, Hyunwoo; Glukhov, Evgenia; Gerwick, William H.

ArticleIssue Date2022CitationFrontiers in Microbiology, v.13, pp 1 - 17PublisherFrontiers Media S.A.
SCIESCOPUS
Fatuamide A, a Hybrid PKS/NRPS Metallophore from a Leptolyngbya sp. Marine Cyanobacterium Collected in American Samoaopen access

Alexander, Kelsey L.; Naman, C. Benjamin; Iwasaki, Arihiro; Mangoni, Alfonso; Leao, Tiago; Reher, Raphael; Petras, Daniel; Kim, Hyunwoo; Ternon, Eva; Caro-Diaz, Eduardo J. E., et al.

ArticleIssue Date2025CitationJournal of Natural Products, v.88, no.2, pp 322 - 335PublisherAmerican Chemical Society and American Society of Pharmacognosy
SCOPUSESCI
NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clustersopen access

Tiago F. Leão; Wang, Mingxun; da Silva, Ricardo; Gurevich, Alexey; Bauermeister, Anelize; Gomes, Paulo Wender P.; Brejnrod, Asker; Glukhov, Evgenia; Aron, Allegra T.; Louwen, Joris J. R., et al.

ArticleIssue Date2022CitationPNAS Nexus, v.1, no.5, pp 1 - 15PublisherOxford University Press
SCIESCOPUS
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomicsopen access

Bittremieux, Wout; Avalon, Nicole E.; Thomas, Sydney P.; Kakhkhorov, Sarvar A.; Aksenov, Alexander A.; Gomes, Paulo Wender P.; Aceves, Christine M.; Caraballo-Rodríguez, Andrés Mauricio; Gauglitz, Julia M.; Gerwick, William H., et al.

ArticleIssue Date2023CitationNature Communications, v.14, no.1, pp 1 - 15PublisherNature Portfolio
SCIESCOPUS
PECAN Predicts Patterns of Cancer Cell Cytostatic Activity of Natural Products Using Deep Learning

Gahl, Martha; Kim, Hyun Woo; Glukhov, Evgenia; Gerwick, William H.; Cottrell, Garrison W.

ArticleIssue Date2024CitationJournal of Natural Products, v.87, no.3, pp 567 - 575PublisherAmerican Chemical Society
SCOPUS
SMART deep learning tools to accelerate the characterization of natural product structures from their NMR data

Ryu, Byeol; Kim, Myeong Ji; Wangdong Xu; Chen Zhang; Wang, Mingxun; Kim, Hyunwoo; Cottrell, Garrison W.; Gerwick, William H.

ArticleIssue Date2025CitationMethods in EnzymologyPublisherElsevier Inc.
SCIESCOPUS
SPECTRE: A Multimodal Spectral Transformer for Small Molecule Annotationopen access

Xu, Wangdong; Ryu, Byeol; Tong, Anthony; Mao, Huanru Henry; Kim, Hyunwoo; Zhao, James Jialun; Zhang, Chen; Xu, Yiran; Wang, Mingxun; Gerwick, William H., et al.

ArticleIssue Date2026CitationJournal of Chemical Information and Modeling, v.66, no.5, pp 2501 - 2512PublisherAmerican Chemical Society
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