Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2025
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2025
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2024
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
ZENODO
Dataset . 2024
License: https://opensource.org/licenses/MIT
Data sources: Datacite
ZENODO
Dataset . 2025
License: https://opensource.org/licenses/MIT
Data sources: Datacite
ZENODO
Dataset . 2025
License: https://opensource.org/licenses/MIT
Data sources: Datacite
ZENODO
Dataset . 2025
License: https://opensource.org/licenses/MIT
Data sources: Datacite
 View all 5 versions
Claim

spec2struct resources

Research datakeyboard_double_arrow_right Dataset 18 Nov 2024Embargo end date: 22 Nov 2024Publisher:Zenodo
Authors: Mirza, Adrian; Jablonka, Kevin Maik;

doi: 10.5281/zenodo.14177705 , 10.5281/zenodo.14634449 , 10.5281/zenodo.14638782 , 10.5281/zenodo.14177704

spec2struct resources

Abstract

Unzip the files with this command tar -xvzf molbind.tar.gz This is the supplementary information for the spec2struct pipeline that has been built using the MoleculeBind framework. The source code for MoleculeBind can be found at src/ and also on GitHub, while the scripts for spec2struct can be found at experiments/structure_elucidation/*.

Related Organizations
Keywords

NMR spectroscopy, FOS: Chemical sciences, Elucidation-of-Structure-from-Spectra, IR, CASE, Analytical Chemistry

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 1
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average