Dear All,
we are using CML to store thermophysical properties of solvent mixtures.
This has worked very nicely for us, however there remain doubts about
the validity of our CML, as discussed last week with E. Willighagen at
the Beilstein Open Science Symposium.
You can find the CML files and the scripts used to generate them from
csv here:
https://fairdomhub.org/studies/643/snapshots/2
And the original publication here:
https://pubs.acs.org/doi/full/10.1021/acs.jced.9b00555
We are working on another publication using CML and would like to
improve the way we work with CML.
Colleagues working on a metadata database (
https://www.izus.uni-stuttgart.de/en/fokus/darus/index.html ) have
informed us that they need a CML schema for automated upload of our CML
files into their database.
Any assistance you can provide assisting us in this matter is welcome,
and will be acknowledged appropriately in our next publication.
Best regards
Gudrun Gygli
---
Gudrun Gygli, PhD
Institute of Biochemistry and Technical Biochemistry
University of Stuttgart
Allmandring 31, D-70569 Stuttgart, Germany
emailgudrun.gy...@itb.uni-stuttgart.de
Phone (+49)- 71168567058
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