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It is becoming common for authors to upload raw data of their research when publishing their papers. However, it is still a small fraction of papers include the dataset.

Is there a way to search for papers whose data are available in repositories?

My field is computational chemistry, and I hope to find papers which have posted the raw data for the DFT analysis.

  • You should probabably cross-post this question at opendata.stackexchange.com. You might get some helpful responses from there. – Tripartio Apr 27 '18 at 9:09
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    What is "DFT analysis"? Please spell it out so that more people might be able to help you. – Tripartio Apr 27 '18 at 9:14
  • There are a number of such databases (PubChemQC comes to mind), but you need to be more specific about what data you're interested in, then you can worry about searching for papers that report databases/repositories. – pentavalentcarbon May 13 '18 at 15:16
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Do you know if there exists a database for the type of data you are interested in? That would be the easiest way: browse the database until you find an interesting data set, and the paper will likely be referenced by the database entry (if it is a serious database).

Here is an analogy with my own field (structural biology): most (if not all) journals require that structural models of biological molecules be deposited in the PDB in order to publish the article describing the structure. Only the model used to be deposited, but nowadays researchers are also encouraged to deposit the data that led to the model. Therefore, if I am looking for the article describing a particular structure, it is often easier to look up the molecule in the PDB, possibly choose between different entries (one of they may have associated data, not only the model) and find the paper from there.

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What you are looking for is probably DataCite search: https://search.datacite.org/works. If your dataset of interest has a DOI, you should be able to find it that way. You can search by keyword and DFT should bring up about 72,000 datasets. Those datasets may or may not be linked to publications.

Though it will not be useful for your work, for those that might be interested to find biological datasets I have an additional tip. I work for a life science literature database (Europe PMC), and we link publications and data. We identify data citations (in the form of DOI or citation numbers) in the text and this information is searchable. You can either add (HAS_DATA:y) to your search to identify all papers that reference data, or specify the data type (e.g. PDB accession number, or clinical trial reference) using the advanced search. Here is one example for papers on cancer that reference protein structural data: https://europepmc.org/search?query=Cancer%20AND%20(ACCESSION_TYPE%3Apdb)

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I suggest you directly looking at theses/dissertations databases. They may not put the data in the article but their theses most probably include them in the appendix.

Not a direct way to filter only data including reports, yet it will really increase the likelihood of finding data for you. Proquest is an example of such theses/dissertations search engine.

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