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Open Access
Peer-reviewed
Research Article
CERES: Cluster‑enabled regression of extract signatures for discovery of NRF2 activators in Centella asiatica by ion-mobility mass spectrometry, k-medoids clustering and ensemble Lasso regression
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Luke C. Marney,
Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Chemistry, Oregon State University, Corvallis, Oregon, United States of America
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Jaewoo Choi,
Roles Conceptualization, Investigation, Methodology, Supervision, Validation, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Chemistry, Oregon State University, Corvallis, Oregon, United States of America
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Vera Alenicheva,
Roles Conceptualization, Investigation, Methodology
Affiliation Department of Chemistry, Oregon State University, Corvallis, Oregon, United States of America
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Kadine Cabey,
Roles Conceptualization, Investigation, Methodology, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Neurology, Oregon Health & Science University, Portland, Oregon, United States of America
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Tobias Beck,
Roles Conceptualization, Data curation, Investigation, Software
Affiliation School of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, Oregon, United States of America
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Elizabeth Milner,
Roles Conceptualization, Methodology, Validation, Writing – review & editing
Affiliation Department of Pharmaceutical Sciences, Oregon State University, Corvallis, Oregon, United States of America
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Nora E. Gray,
Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Neurology, Oregon Health & Science University, Portland, Oregon, United States of America
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Amala Soumyanath,
Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Neurology, Oregon Health & Science University, Portland, Oregon, United States of America
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Claudia S. Maier,
Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Chemistry, Oregon State University, Corvallis, Oregon, United States of America, Linus Pauling Institute, Oregon State University, Corvallis, Oregon, United States of America
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Jan F. Stevens,
Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – review & editing
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, Department of Pharmaceutical Sciences, Oregon State University, Corvallis, Oregon, United States of America, Linus Pauling Institute, Oregon State University, Corvallis, Oregon, United States of America
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Kevin S. Brown
Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing
* E-mail: kevin.brown@oregonstate.edu
Affiliations BENFRA Botanical Dietary Supplements Research Center, Oregon Health & Science University, Portland, Oregon, United States of America, School of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, Oregon, United States of America, Department of Pharmaceutical Sciences, Oregon State University, Corvallis, Oregon, United States of America
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CERES: Cluster‑enabled regression of extract signatures for discovery of NRF2 activators in Centella asiatica by ion-mobility mass spectrometry, k-medoids clustering and ensemble Lasso regression
- Luke C. Marney,
- Jaewoo Choi,
- Vera Alenicheva,
- Kadine Cabey,
- Tobias Beck,
- Elizabeth Milner,
- Nora E. Gray,
- Amala Soumyanath,
- Claudia S. Maier,
- Jan F. Stevens
- Published: August 6, 2026
- https://doi.org/10.1371/journal.pone.0354664