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mSorok / NaturalProductsOnline

Website code for COCONUT
https://coconut.naturalproducts.net/
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Recommended Citation for Dataset only? #96

Closed adelenelai closed 2 years ago

adelenelai commented 2 years ago

Hi,

I want to cite a specific version of the COCONUT dataset alone (no web interface) which I downloaded as SMILES from https://coconut.naturalproducts.net/download

(BTW the version I downloaded is listed as "January 2022" on website above, but the file downloaded has filename "2021.11". Which is correct?)

For this, should I use the recommended citation documented in this repo i.e. the Sorokina et al paper? https://github.com/mSorok/NaturalProductsOnline/search?q=cite

Also found alternative possible citation in Zenodo (but I think it's not the most up-to-date version of the dataset) https://zenodo.org/record/5336447

Which to use?

For future suggest adding citation info directly to https://coconut.naturalproducts.net/download and harmonise with Zenodo.

Thanks :)

Kohulan commented 2 years ago

Hello @adelenelai ,

I would suggest you cite the COCONUT paper as well as the dataset:

Maria Sorokina, & Christoph Steinbeck. (2021). COCONUT: the COlleCtion of Open NatUral producTs. (Version 6) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5336447

The dataset you have downloaded with the filename 2021.11 is correct we published the dataset in January.

adelenelai commented 2 years ago

Okie thanks! :)

On Tue, 7 Jun 2022, 13:25 Kohulan Rajan, @.***> wrote:

Hello @adelenelai https://github.com/adelenelai ,

I would suggest you cite the COCONUT paper as well as the dataset:

Maria Sorokina, & Christoph Steinbeck. (2021). COCONUT: the COlleCtion of Open NatUral producTs. (Version 6) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5336447

The dataset you have downloaded with the filename 2021.11 is correct we published the dataset in January.

  • Kohulan

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adelenelai commented 2 years ago

Hi again

The Zenodo citation you gave is for v.6 which seems to be 2021.03 version of COCONUT? I used 2021.11.

The 2021.11 version was published in January 2022, right? Is there a Zenodo citation for this version?