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Our final paper in #journalofcheminformatics
Blind trials of Computer-Assisted Structure Elucidation software
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 via @AddThis
My latest SlideShare upload : On the Accuracy of Chemical Structures Found On the Internet via @slideshare
"Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties"
Our Free Access paper "Elucidating undecipherable structures using computer-assisted structure elucidation approaches"
>1000 accesses in 30 days for our article Blind trials of Computer-Assisted Structure Elucidation software
#journalofcheminformatics
Blind trials of Computer-Assisted Structure Elucidation software
"Improving Online Chemistry One Structure at a Time" My presentation regarding curation, MassSpec and ChemSpider
Our article accepted "Blind trials of Computer-Assisted Structure Elucidation software " Provisional PDF available:
One step closer to the structure of #Olympicene is documented on #CSSP: Friedel Crafts cylisation:
Automated Structure Verification by #NMR, Part 2: Return on Investment
Automated Structure Verification by #NMR, Part 1: Lead Optimization Support in Drug Discovery
Our early view article "Elucidating ‘undecipherable' structures using computer-assisted structure elucidation"
@egonwillighagen @razin I wonder how many scientists use Microsoft tools everyday? Isn't PMRs structure plug in open and funded by msft?
Nice to see on Amazon for our book on Structure Elucidation "Only 4 left in stock--order soon (more on the way). "
