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Journal of Cheminformatics | Full text | Blind trials of Computer-Assisted Structure Elucidation software

Our final paper in #journalofcheminformatics
Blind trials of Computer-Assisted Structure Elucidation software

May 10  - Jcheminf (Reply hRetweet òMore

“Testing out our "structure validation service" for checking chemical structure files for hypervalency, charge balance, absent stereo & JUNK”

“Alex Clark continues his work to make mobile structure sketching accessible: Familiar toolbars, and helpful tooltips ”

“Our article "Blind trials of Computer-Assisted Structure Elucidation software" is listed as highly accessed...nice..”

On the Accuracy of Chemical Structures Found on the Internet " ChemConnector Blog

On the Accuracy of Chemical Structures Found on the Internet via @AddThis

Mar 29  - Chemconnector (Reply hRetweet òMore

On the Accuracy of Chemical Structures Found on the Internet

My latest SlideShare upload : On the Accuracy of Chemical Structures Found On the Internet via @slideshare

Mar 29  - SlideShare (Reply hRetweet òMore

RInChI

InChIs are for chemical structures...Reaction InChIs are for reactions

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"Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties"

Journal of Cheminformatics | Article Statistics |

>1000 accesses in 30 days for our article Blind trials of Computer-Assisted Structure Elucidation software

Mar 6  - Jcheminf (Reply hRetweet òMore

Journal of Cheminformatics | Abstract | Blind trials of Computer-Assisted Structure Elucidation software

#journalofcheminformatics
Blind trials of Computer-Assisted Structure Elucidation software

Mar 2  - Jcheminf (Reply hRetweet òMore

Homology Modeling

RT @MolSoft: New book about homology modeling of protein structure.

Feb 28  - Springer (Reply hRetweet òMore

“"Improving Online Chemistry One Structure at a Time" My presentation regarding curation, MassSpec and ChemSpider”

Journal of Cheminformatics | Abstract | Blind trials of Computer-Assisted Structure Elucidation software

Our article accepted "Blind trials of Computer-Assisted Structure Elucidation software " Provisional PDF available:

Feb 9  - Jcheminf (Reply hRetweet òMore

In Celebration of Chemistry in Sports. Introducing Olympicene. « ChemConnector Blog

One step closer to the structure of #Olympicene is documented on #CSSP: Friedel Crafts cylisation:

Feb 9  - Chemconnector (Reply hRetweet òMore

Automated Structure Verification by NMR, Part 2: Return on Investment | American Laboratory

Automated Structure Verification by #NMR, Part 2: Return on Investment

Feb 3  - Americanlaboratory (Reply hRetweet òMore

Automated Structure Verification by NMR, Part 1: Lead Optimization Support in Drug Discovery | American Laboratory

Automated Structure Verification by #NMR, Part 1: Lead Optimization Support in Drug Discovery

Feb 3  - Americanlaboratory (Reply hRetweet òMore

“@egonwillighagen @razin I wonder how many scientists use Microsoft tools everyday? Isn't PMRs structure plug in open and funded by msft?”

Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation (New Developments in Nmr)

Nice to see on Amazon for our book on Structure Elucidation "Only 4 left in stock--order soon (more on the way). "

Jan 12  - Amazon (Reply hRetweet òMore
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