Evidence map›Paper›PMID 28045544›Full record

ArticleJournal of chemical information and modeling2017

Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.

Stephen J Capuzzi, Ian Sang-June Kim, Wai In Lam, Thomas E Thornton, Eugene N Muratov, Diane Pozefsky, Alexander Tropsha

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.

0numbers the graph read from it
0cells of the map it votes in
26citing papers in PubMed
–field-weighted citation impact
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

26 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Review
  6. Article
  7. PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices.Toxicological sciences : an official journal of the Society of Toxicology · 2022
    Article
  8. Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.ACS pharmacology & translational science · 2022
    Article
  9. Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.bioRxiv : the preprint server for biology · 2022
    Article
  10. Review
  11. Review
  12. Review
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Article
  19. Review
  20. Article
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

7 authors.

Stephen J CapuzziLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Ian Sang-June KimLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Wai In LamLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Thomas E ThorntonLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Eugene N MuratovLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Diane PozefskyLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
Alexander TropshaLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.ORCID 0000-0003-3802-8896

Funding

PREDICTIVE QSAR MODELINGR01GM066940 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER · 2003 to 2011
$3.0M
Chembench: the Integrated Web Portal to Accelerate Cheminformatics and Chemical GR01GM096967 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI POZEFSKY, DIANE, TROPSHA, ALEXANDER · 2012 to 2015
$1.1M
NIGMS NIH HHS R01 GM066940NIGMS NIH HHS R01 GM096967
6 · The paper itself

Abstract

The enormous increase in the amount of publicly available chemical genomics data and the growing emphasis on data sharing and open science mandates that cheminformaticians also make their models publicly available for broad use by the scientific community. Chembench is one of the first publicly accessible, integrated cheminformatics Web portals. It has been extensively used by researchers from different fields for curation, visualization, analysis, and modeling of chemogenomics data. Since its launch in 2008, Chembench has been accessed more than 1 million times by more than 5000 users from a total of 98 countries. We report on the recent updates and improvements that increase the simplicity of use, computational efficiency, accuracy, and accessibility of a broad range of tools and services for computer-assisted drug design and computational toxicology available on Chembench. Chembench remains freely accessible at https://chembench.mml.unc.edu.

Indexed as

InternetUser-Computer InterfaceInformaticsProgramming LanguagesQuantitative Structure-Activity Relationship

Identifiers

PMID28045544
PMCPMC5720369

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.