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Record W4396922121 · doi:10.1101/2024.05.13.593988

plantMASST - Community-driven chemotaxonomic digitization of plants

2024· preprint· en· W4396922121 on OpenAlexaff
Paulo Wender Portal Gomes, Helena Mannochio-Russo, Robin Schmid, Simone Zuffa, Tito Damiani, Luis-Manuel Quirós-Guerrero, Andrés Mauricio Caraballo‐Rodríguez, Haoqi Nina Zhao, Heejung Yang, Shipei Xing, Vincent Charron‐Lamoureux, Desnor N. Chigumba, Brian E. Sedio, Jonathan A. Myers, Pierre‐Marie Allard, Thomas V. Harwood, Giselle Tamayo‐Castillo, Kyo Bin Kang, Emmanuel Défossez, Héctor H. F. Koolen, Milton Silva, Consuelo Yumiko Yoshioka e Silva, Sergio Rasmann, Tom W. N. Walker, Gaétan Glauser, José Miguel Chaves‐Fallas, Bruno David, Hyun Woo Kim, K. Lee, Myeong Ji Kim, Won Jun Choi, Young‐Sam Keum, Emilly J. S. P. de Lima, Lívia Soman de Medeiros, Giovana A. Bataglion, Emmanoel Vilaça Costa, Felipe M. A. da Silva, Alice Rhelly Veloso Carvalho, José Diogo Evangelista Reis, Sônia Pamplona, Eunah Jeong, Kyungha Lee, Geum Jin Kim, Yun‐Seo Kil, Joo‐Won Nam, Hyukjae Choi, Yoo Kyong Han, Si Young Park, Ki Yong Lee, Changling Hu, Yilun Dong, Shengmin Sang, Colin R. Morrison, Ricardo M. Borges, Andrew Magno Teixeira, Seo Yoon Lee, Bum Soo Lee, Se Yun Jeong, Ki Hyun Kim, Adriano Rutz, Arnaud Gaudry, Edouard Brüelhart, Iris F. Kappers, Rumyana Karlova, Mara Meisenburg, Roland Berdaguer, J. Sebastián Tello, D. Henderson, Leslie Cayola, S. Joseph Wright‬, David Allen, Kristina J. Anderson‐Teixeira, Jennifer L. Baltzer, James A. Lutz, Sean M. McMahon, Geoffrey G. Parker, John D. Parker, Trent R. Northen, Benjamin P. Bowen, Tomáš Pluskal, Justin J. J. van der Hooft, Jeremy Carver, Nuno Bandeira, Benjamin Pullman, Jean‐Luc Wolfender, Roland D. Kersten, Mingxun Wang, Pieter C. Dorrestein

Bibliographic record

VenuebioRxiv (Cold Spring Harbor Laboratory) · 2024
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicGenetics, Bioinformatics, and Biomedical Research
Canadian institutionsWilfrid Laurier University
Fundersnot available
KeywordsDigitizationBotanyBiologyComputer scienceTelecommunications

Abstract

fetched live from OpenAlex

Understanding the distribution of hundreds of thousands of plant metabolites across the plant kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075 plant extracts and developed the plantMASST reference database encompassing 246 botanical families, 1,469 genera, and 2,793 species. This taxonomically focused database facilitates the exploration of plant-derived molecules using tandem mass spectrometry (MS/MS) spectra. This tool will aid in drug discovery, biosynthesis, (chemo)taxonomy, and the evolutionary ecology of herbivore interactions.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Software · Consensus signal: none
Teacher disagreement score0.007
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0070.007
Science and technology studies0.0010.000
Scholarly communication0.0020.001
Open science0.0010.003
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0040.004

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.020
GPT teacher head0.244
Teacher spread0.225 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreSoftware

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations27
Published2024
Admission routes1
Has abstractyes

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