Evidence map›Paper›PMID 30451976›Full record

ArticleScientific reports2018

Employing fingerprinting of medicinal plants by means of LC-MS and machine learning for species identification task.

Pavel Kharyuk, Dmitry Nazarenko, Ivan Oseledets, Igor Rodin, Oleg Shpigun, Andrey Tsitsilin, Mikhail Lavrentyev

Erratum issuedOpen access · goldAbstract read
In one paragraph

Article in Scientific reports, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
1.0field-weighted citation impact, top 23% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed, 20 citations in OpenAlex.

  1. Article
  2. Article
  3. Metabolite Fingerprinting Based onMolecules (Basel, Switzerland) · 2022
    Review
  4. Screening for the Active Anti-Inflammatory and Antioxidant Polyphenols ofInternational journal of molecular sciences · 2021
    Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

7 authors at 4 institutions in 2 countries.

Pavel KharyukSkolkovo Institute of Science and Technology, Center for Computational and Data-Intensive Science and Engineering, Moscow, 143026, Russia. kharyuk.pavel@gmail.com.
Dmitry NazarenkoLomonosov Moscow State University, Faculty of Chemistry, Moscow, 119991, Russia. dmitro.nazarenko@gmail.com.
Ivan OseledetsSkolkovo Institute of Science and Technology, Center for Computational and Data-Intensive Science and Engineering, Moscow, 143026, Russia.
Igor RodinLomonosov Moscow State University, Faculty of Chemistry, Moscow, 119991, Russia.
Oleg ShpigunLomonosov Moscow State University, Faculty of Chemistry, Moscow, 119991, Russia.
Andrey TsitsilinAll-Russian Research Institute of Medicinal and Aromatic Plants (VILAR), Moscow, 117216, Russia.
Mikhail LavrentyevSaratov State University, Department of Botanics and Ecology, Saratov, 410012, Russia.ORCID http://orcid.org/0000-0002-8674-6887
Lomonosov Moscow State University · RUSkolkovo Institute of Science and Technology · RUAll-Russian Scientific Research Institute of Medicinal and Aromatic Plants · RUSaratov State University · RU

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A dataset of liquid chromatography-mass spectrometry measurements of medicinal plant extracts from 74 species was generated and used for training and validating plant species identification algorithms. Various strategies for data handling and feature space extraction were tested. Constrained Tucker decomposition, large-scale (more than 1500 variables) discrete Bayesian Networks and autoencoder based dimensionality reduction coupled with continuous Bayes classifier and logistic regression were optimized to achieve the best accuracy. Even with elimination of all retention time values accuracies of up to 96% and 92% were achieved on validation set for plant species and plant organ identification respectively. Benefits and drawbacks of used algortihms were discussed. Preliminary test showed that developed approaches exhibit tolerance to changes in data created by using different extraction methods and/or equipment. Dataset with more than 2200 chromatograms was published in an open repository.

Indexed as

Machine LearningAlgorithmsChromatography, LiquidMass SpectrometryPlants, MedicinalSpecies Specificity

Identifiers

PMID30451976
PMCPMC6243014
OpenAlexW2901800236

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.