Archive for the ‘NPC Browser’ Tag

Structure representations in public chemistry databases: The challenges of validating the chemical structures for 200 top-selling drugs   Leave a comment

My final presentation at ACS Denver yesterday I think was the clearest presentation I gave all week. As with most presentations I gave last week I was up at 4am to finish it off based on conversations I had been having during the week. A lot of people came to the booth after the presentation […]

Encouraging Collaboration in Washington as a Hub for Chemistry Databases   6 comments

On August 25/26 I will be attending the 5th Meeting on U.S. Government Chemical Databases and Open Chemistry. I will have the opportunity to spend time with people I appreciate for the contributions they are making to chemistry: Martin Walker, JC Bradley, Andy Lang,¬†Markus Sitzmann, Ann Richard, Frank Switzer, Evan Bolton, Marc Zimmermann, Wolf Ihlenfeldt, […]

Searching for “Complete Synonyms” in PubChem and the NPC Browser   1 comment

I am interested in feedback from online databases as to expected behaviors from a search. PubChem has a Complete Synonym search that limits a chemical name based search to the synonym field. Without that fielded search the search is across all text in a record, I assume. The difference in the results is shown below. […]

Duplicate compounds in the NPC Browser and NCGC Dataset   5 comments

I am presently working on a couple of articles, book chapters and guest blog posts regarding quality in public domain chemistry databases. In so doing I have continued to work through the data contained within the NPC Browser that I have blogged about many times before. I HAVE been adding curation comments to the data […]

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