1. Improved small molecule identification through learning combinations of kernel regression models, brouard 2019 Metabolites

2. visualizing probabilistic models and data with intensive principal component analysis Quinn, 2019 PNAS

3. Monitoring of system conditioning after blank injections in untargeted UPLC-MS Metabolomic analysis Martinez-Sena, 2019, Scientific reports 

4. Peng, Bing, et al. "LipidCreator workbench to probe the lipidomic landscape." Nature Communications 11.1 (2020): 1-14.

5. Seo, Myungwon, et al. "Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development." Journal of Cheminformatics 12.1 (2020): 6.

6. Capecchi, Alice, Daniel Probst, and Jean-Louis Reymond. "One Molecular Fingerprint to Rule them All: Drugs, Biomolecules, and the Metabolome." (2020).

7. McGurk, Kathryn A., et al. "The use of missing values in proteomic data-independent acquisition mass spectrometry to enable disease activity discrimination." Bioinformatics 36.7 (2020): 2217-2223.

8. Li, Lili, et al. "An alignment algorithm for LC-MS-based metabolomics dataset assisted by MS/MS information." Analytica chimica acta 990 (2017): 96-102.

9. Sorokina, Maria, and Christoph Steinbeck. "Review on natural products databases: where to find data in 2020." Journal of Cheminformatics 12 (2020): 1-51.

10. Rong, Zhiwei, et al. "NormAE: Deep Adversarial Learning Model to Remove Batch Effects in Liquid Chromatography Mass Spectrometry-Based Metabolomics Data." Analytical Chemistry (2020).

11. Jacobowitz, Joseph R., and Jing-Ke Weng. "Exploring Uncharted Territories of Plant Specialized Metabolism in the Postgenomic Era." Annual Review of Plant Biology 71 (2020).

12. Navarro-Muñoz, Jorge C., et al. "A computational framework to explore large-scale biosynthetic diversity." Nature chemical biology 16.1 (2020): 60-68.

13. Bouwmeester, Robbin, Lennart Martens, and Sven Degroeve. "Comprehensive and empirical evaluation of machine learning algorithms for small molecule LC retention time prediction." Analytical chemistry 91.5 (2019): 3694-3703.

14. Stokes, Jonathan M., et al. "A deep learning approach to antibiotic discovery." Cell 180.4 (2020): 688-702.

15. Skinnider, Michael A., et al. "PRISM 3: expanded prediction of natural product chemical structures from microbial genomes." Nucleic acids research 45.W1 (2017): W49-W54.