Changes between Initial Version and Version 1 of Ticket #9387, comment 25


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Timestamp:
Jan 12, 2024, 10:29:56 AM (23 months ago)
Author:
Eric Pettersen

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  • Ticket #9387, comment 25

    initial v1  
    1 So, Tristan, any idea what we should do if we find errors in the SPICE dataset?  For instance the SPICE entry based on PubChem substance ID 386045997 has the proton on the 5-member ring on the wrong nitrogen, despite the protonation being correct in the corresponding Pubchem compound entry (68785137).
     1So, Tristan, any idea what we should do if we find errors in the SPICE dataset?  For instance the SPICE entry based on !PubChem substance ID 386045997 has the proton on the 5-member ring on the wrong nitrogen, despite the protonation being correct in the corresponding !Pubchem compound entry (68785137).