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CalebBell / chemicals

chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)
MIT License
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Found some errors in the CAS registration number #32

Closed daar closed 2 years ago

daar commented 3 years ago

Hi,

I validated the CAS numbers used in the critical parameters datasets and found some errors for the IUPAC dataset file. Please accept my pull request.

CalebBell commented 3 years ago

Hi,

I will definitely be merging this! Thank you for your review, it is appreciated. I checked the first two errors - one was mine, one was the original publication. I will triple check the others you confirmed, fix the tests, and merge and release ASAP.

Cheers, Caleb

CalebBell commented 2 years ago

Hi, I'm sorry about the delay in getting these out. I have released chemicals 1.0.12 with your improvements. All of your fixes were, as you knew, correct. It's a little frustrating that many of the original article's CASs were wrong. One day, I hope authors start including tables as .csv files with their papers and checking their metadata against projects like chemicals.

Thanks again, Caleb