Evidence map›Paper›PMID 31589422›Full record

ArticleJournal of chemical information and modeling2019

STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural Products.

Nicholas T Cockroft, Xiaolin Cheng, James R Fuchs

Open access · greenAbstract read
In one paragraph

Article in Journal of chemical information and modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.

0numbers the graph read from it
0cells of the map it votes in
25citing papers in PubMed
3.6field-weighted citation impact, top 6% 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

25 citing papers in PubMed, 51 citations in OpenAlex.

  1. Article
  2. Review
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  9. Article
  10. Article
  11. Review
  12. Review
  13. Latin American Natural Product Database (LANaPDB): An Update.Journal of chemical information and modeling · 2024
    Article
  14. Review
  15. Article
  16. Review
  17. Article
  18. Review
  19. Article
  20. Recent Advances in In Silico Target Fishing.Molecules (Basel, Switzerland) · 2021
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors at 1 institution in 1 country.

Nicholas T CockroftDivision of Medicinal Chemistry & Pharmacognosy, College of Pharmacy , The Ohio State University , Columbus , Ohio 43210 , United States.
Xiaolin ChengDivision of Medicinal Chemistry & Pharmacognosy, College of Pharmacy , The Ohio State University , Columbus , Ohio 43210 , United States.ORCID 0000-0002-7396-3225
James R FuchsDivision of Medicinal Chemistry & Pharmacognosy, College of Pharmacy , The Ohio State University , Columbus , Ohio 43210 , United States.ORCID 0000-0002-8743-6389
The Ohio State University · US

Funding

Project 3:Isolation Chemistry of Filamentous Fungi and Biological EvaluationP01CA125066 · NCI · OHIO STATE UNIVERSITY · PI JIMMY ORJALA · 2007 to 2026
$27.2M
NCI NIH HHS P01 CA125066
6 · The paper itself

Abstract

Target fishing is the process of identifying the protein target of a bioactive small molecule. To do so experimentally requires a significant investment of time and resources, which can be expedited with a reliable computational target fishing model. The development of computational target fishing models using machine learning has become very popular over the last several years because of the increased availability of large amounts of public bioactivity data. Unfortunately, the applicability and performance of such models for natural products has not yet been comprehensively assessed. This is, in part, due to the relative lack of bioactivity data available for natural products compared to synthetic compounds. Moreover, the databases commonly used to train such models do not annotate which compounds are natural products, which makes the collection of a benchmarking set difficult. To address this knowledge gap, a data set composed of natural product structures and their associated protein targets was generated by cross-referencing 20 publicly available natural product databases with the bioactivity database ChEMBL. This data set contains 5589 compound-target pairs for 1943 unique compounds and 1023 unique targets. A synthetic data set comprising 107 190 compound-target pairs for 88 728 unique compounds and 1907 unique targets was used to train

Indexed as

Biological ProductsDatabases, FactualDrug DiscoveryHumansLogistic ModelsMachine LearningNeural Networks, ComputerProteinsROC CurveBiological ProductsProteins

Identifiers

PMID31589422
PMCPMC7291623
OpenAlexW2979894716

What OpenQuestion holds

Textmetadata
LicenceTDM
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.