MIST-CF: Chemical Formula Inference from Tandem Mass Spectra-Reference-Cited by-同舟云学术

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MIST-CF: Chemical Formula Inference from Tandem Mass Spectra

Published:2023-09-19 Issue: Volume: Page:
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Goldman Samuel¹^ORCID,Xin Jiayi²^ORCID,Provenzano Joules³,Coley Connor W.³⁴^ORCID

Affiliation:

1. Computational and Systems Biology, Massachusetts Institute of Technology, Cambridge 02139, Massachusetts, United States

2. Statistics and Actuarial Science, The University of Hong Kong, Hong Kong 999077, China

3. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge 02139, Massachusetts, United States

4. Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge 02139, Massachusetts, United States

Funder

Takeda Science Foundation

Accenture

Machine Learning for Pharmaceutical Discovery and Synthesis consortium

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01082

Reference47 articles.

1. The biosynthetic origin of psychoactive kavalactones in kava

2. PBS3 and EPS1 Complete Salicylic Acid Biosynthesis from Isochorismate in Arabidopsis

3. Commensal microbiota from patients with inflammatory bowel disease produce genotoxic metabolites

4. Cancer-associated IDH1 mutations produce 2-hydroxyglutarate

5. Global chemical effects of the microbiome include new bile-acid conjugations

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3. Editorial: Machine Learning in Bio-cheminformatics;Journal of Chemical Information and Modeling;2024-04-08

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