openforcefield / open-forcefield-data

Datasets for open forcefield parameterization and development
MIT License
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Full DOIs? #4

Closed davidlmobley closed 8 years ago

davidlmobley commented 8 years ago

@bmanubay - Niels in the Gilson lab remarks that the filename field seems to be part but not all of the DOI. Is there a way to get the full DOI? Particularly, he says:

  1. The filename field seems to be a DOI, except that the first half of the DOI (registry/registrant) is missing. I can google the filename and usually get to the published article, but is there some way to get the full DOI directly?

For instance, the first line here:
https://github.com/open-forcefield-group/open-forcefield-data/blob/master/Binary-Mixtures/Property%20data/eme_bin.csv (is that where I should be looking on github?) says ... j.jct.2005.03.012, but the full DOI is 10.1016/j.jct.2005.03.012

bmanubay commented 8 years ago

Hey @davidlmobley

Unfortunately that is the information that ThermoPyL provides for filename when the data is pulled down. I looked into finding some way to generate DOI from these abbreviated article titles (like a Python module or something), but couldn't find anything.

jchodera commented 8 years ago

Probably a good question for Ken Kroenlein? They should be documenting that.

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