Archive for the ‘InChI’ Tag

An InChIkey Collision is Discovered and NOT Based on Stereochemistry   13 comments

InChI Strings and InChIKeys are very much the backbone of ChemSpider and have quickly become a way by which online databases are being connected online. The InChIKey is a hash of the InChiString and when the hash was adopted it was suggested that the likelihood that there would be a collision was very small, the […]

Continuing Conflicts in the Messy World of Internet Chemistry   1 comment

I have been looking at the state of curated data on the internet and blogged last night about the messy world of curated data. I should emphasize…none of these commentaries are meant to be harsh. Believe me, I’ve gone through the process of validating data and it’s difficult. There will be mistakes but what we […]

Posted August 16, 2010 by admin in Uncategorized

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The Messy World of Even Curated Chemistry on the Internet   Leave a comment

Recently I have been spending my night hours looking into the nature of curated chemistry on the internet. 3 years ago I made some assumptions around the quality of certain online datasets when they were deposited onto ChemSpider. It was clear that a lot of internet chemistry datasets were “impure”…I think messy, untrustworthy and confused […]

Posted August 15, 2010 by admin in Open Science..all its forms, Software

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Three Presentations to give at ACS Spring, Salt Lake City   1 comment

I’ll be giving three papers at the ACS meeting in Salt Lake City in Spring of next year. It seems way in the distance but as usual that time will come way too quickly. I’ve accepted invitations to write four papers before the end of January so it will be the usual crunch. See you […]

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