Evidence map›Paper›PMID 33322568›Full record

ArticleNanomaterials (Basel, Switzerland)2020

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

Iseult Lynch, Antreas Afantitis, Thomas Exner, Martin Himly, Vladimir Lobaskin, Philip Doganis, Dieter Maier, Natasha Sanabria, Anastasios G Papadiamantis, Anna Rybinska-Fryca and 20 more

Abstract read
In one paragraph

Article in Nanomaterials (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

  1. Review
  2. Representation of Molecules by Sequences of Instructions.Journal of chemical information and modeling · 2025
    Article
  3. CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials.Computational and structural biotechnology journal · 2025
    Article
  4. Article
  5. Review
  6. Article
  7. Article
  8. InChI isotopologue and isotopomer specifications.Journal of cheminformatics · 2024
    Article
  9. Article
  10. Review
  11. Article
  12. Article
  13. The nanotopography of SiONanoscale · 2021
    Article
  14. Article
  15. Review
  16. Article
  17. 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

30 authors.

Iseult LynchSchool of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK.ORCID 0000-0003-4250-4584
Antreas AfantitisNanoinformatics Department, NovaMechanics Ltd., 1666 Nicosia, Cyprus.ORCID 0000-0002-0977-8180
Thomas ExnerEdelweiss Connect GmbH, Hochbergerstrasse 60C, 4057 Basel, Switzerland.ORCID 0000-0002-1849-5246
Martin HimlyDepartment Biosciences, Paris Lodron University of Salzburg, Hellbrunnerstrasse 34, 5020 Salzburg, Austria.ORCID 0000-0001-5416-085X
Vladimir LobaskinSchool of Physics, University College Dublin, Belfield, Dublin 4, Ireland.ORCID 0000-0002-5231-0639
Philip DoganisSchool of Chemical Engineering, National Technical University of Athens, 157 80 Athens, Greece.ORCID 0000-0002-0628-8434
Dieter MaierBiomax Informatics AG, Robert-Koch-Str. 2, 82152 Planegg, Germany.
Natasha SanabriaNational Health Laboratory Services, 1 Modderfontein Rd, Sandringham, Johannesburg 2192, South Africa.
Anastasios G PapadiamantisSchool of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK.
Anna Rybinska-FrycaQSAR Lab Ltd., Aleja Grunwaldzka 190/102, 80-266 Gdansk, Poland.ORCID 0000-0001-9985-5081
Maciej GromelskiQSAR Lab Ltd., Aleja Grunwaldzka 190/102, 80-266 Gdansk, Poland.
Tomasz PuzynQSAR Lab Ltd., Aleja Grunwaldzka 190/102, 80-266 Gdansk, Poland.
Egon WillighagenDepartment of Bioinformatics-BiGCaT, School of Nutrition and Translational Research in Metabolism, Maastricht University, Universiteitssingel 50, 6229 ER Maastricht, The Netherlands.
Blair D JohnstonDepartment Chemicals and Product Safety, Federal Institute for Risk Assessment, Max-Dohrn-Str. 8-10, 10589 Berlin, Germany.
Mary GulumianNational Health Laboratory Services, 1 Modderfontein Rd, Sandringham, Johannesburg 2192, South Africa.
Marianne MatzkeUK Centre for Ecology and Hydrology, Maclean Building, Benson Lane, Crowmarsh Gifford OX10 8BB, UK.
Amaia Green EtxabeUK Centre for Ecology and Hydrology, Maclean Building, Benson Lane, Crowmarsh Gifford OX10 8BB, UK.
Nathan BossaLEITAT Technological Center, Circular Economy Business Unit, C/de La Innovació 2, 08225 Terrassa, Barcelona, Spain.ORCID 0000-0002-5355-2744
Angela SerraFaculty of Medicine and Health Technology, Tampere University, FI-33014 Tampere, Finland.ORCID 0000-0002-3374-1492
Irene LiampaSchool of Chemical Engineering, National Technical University of Athens, 157 80 Athens, Greece.ORCID 0000-0002-6350-6776
Stacey HarperSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, 116 Johnson Hall 105 SW 26th St., Corvallis, OR 97331, USA.ORCID 0000-0001-7043-7097
Kaido TämmInstitute of Chemistry, University of Tartu, Ülikooli 18, 50090 Tartu, Estonia.ORCID 0000-0002-7401-4435
Alexander CØ JensenThe National Research Center for the Work Environment, Lersø Parkallé 105, 2100 Copenhagen, Denmark.
Pekka KohonenMisvik Biology OY, Karjakatu 35 B, 20520 Turku, Finland.ORCID 0000-0002-7845-3611
Luke SlaterInstitute of Cancer and Genomics, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK.
Andreas TsoumanisNanoinformatics Department, NovaMechanics Ltd., 1666 Nicosia, Cyprus.
Dario GrecoFaculty of Medicine and Health Technology, Tampere University, FI-33014 Tampere, Finland.ORCID 0000-0001-9195-9003
David A WinklerInstitute of Molecular Sciences, La Trobe University, Kingsbury Drive, Bundoora 3086, Australia.
Haralambos SarimveisSchool of Chemical Engineering, National Technical University of Athens, 157 80 Athens, Greece.
Georgia MelagrakiNanoinformatics Department, NovaMechanics Ltd., 1666 Nicosia, Cyprus.

Funding

Horizon 2020 Framework Programme 731032 (NanoCommons)Horizon 2020 Framework Programme 814572 (NanoAolveIT)
6 · The paper itself

Abstract

Chemoinformatics has developed efficient ways of representing chemical structures for small molecules as simple text strings, simplified molecular-input line-entry system (SMILES) and the IUPAC International Chemical Identifier (InChI), which are machine-readable. In particular, InChIs have been extended to encode formalized representations of mixtures and reactions, and work is ongoing to represent polymers and other macromolecules in this way. The next frontier is encoding the multi-component structures of nanomaterials (NMs) in a machine-readable format to enable linking of datasets for nanoinformatics and regulatory applications. A workshop organized by the H2020 research infrastructure NanoCommons and the nanoinformatics project NanoSolveIT analyzed issues involved in developing an InChI for NMs (

Indexed as

complex nanostructurescoremachine-readablemolecular structurenanomaterials descriptorssurfacesurface functionalization

Identifiers

PMID33322568
PMCPMC7764592

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.