Archive for the ‘ChemSpider’ Tag

Challenging cajoling and rewarding the community for their contributions to online chemistry   Leave a comment

Presentation given at ACS New Orleans Spring Meeting Chemistry online is represented in various ways including publications, presentations, blog posts, wiki-contributions, data depositions, curations and annotations. Encouraging participation from the community to participate in and comment on the information delivered via these various formats would likely provide for a rich dialog exchange in some cases […]

Presentation at William Paterson University. AltMetrics, ORCID and Young Scientists   1 comment

Today I was hosted by Prof David Snyder at William Paterson University in New Jersey where I gave a presentation with the title and abstract below. I had a wonderful day meeting with various members of the faculty and discussing the opportunities for AltMetrics and the need for young scientists to consider their public profile […]

Honored to be a Recipient of the Jim Gray eScience Award from Microsoft Research   3 comments

Last night in Chicago I was awarded the Jim Gray eScience Award. I didn’t know Jim personally but I know I benefit from the fruits of his work. Before Tony Hey gave me the award he played a video about the previous award winners. To be recognized for my contributions and to join scientists of the caliber […]

The Story of Olympicene from Concept to Completion   8 comments

The story of Olympicene, and our intention to try and get it synthesized and analyzed, was first reported in August 2011 here. The original conversation was between Prof Graham Richards and I over a drink in Belgium at the RSC Editors Symposium in March 2010. The concept of having someone synthesize a small organic molecule […]

Terminal Dimethyl means Death by Methane twice   1 comment

When writing talks I try to find interesting (and where possible fun) examples of how challenging the world of managing chemistry data is for all of us that work in the world of managing 10s of thousands, or in our cases millions of compound pages for the community to use. I have told many stories […]

Updated Presentation on Mobile Chemistry Apps and the SciMobileApps Wiki   Leave a comment

I am presently in Barcelona at the ICIC meeting to give a presentation entitled “Mobile Chemistry and “Generation App”.   I have been preparing by looking at what is new in the world of Chemistry Apps and in the process have updated my ongoing list of apps and updated it on SlideShare. I intend to keep […]

Navigating an Internet of Chemistry via ChemSpider   Leave a comment

The internet is a rich source of chemistry related data and, nowadays, if a chemist knows how to initiate a search, data can be sourced for millions of chemicals online. The nature of online data varies from simple molecule diagrams, to experimental and predicted properties, encyclopedic articles, synthetic routes, analytical data, patents and publications. The […]

Open Drug Discovery Presentation Session with JC Bradley   1 comment

I had the pleasure of co-presenting with my friend Jean-Claude Bradley today at the “3rd Annual Drug Discovery Partnership: Filling the Pipeline“. Jean-Claude gave a great talk, available on Slideshare here, and discussed the issue of data quality, how improve data gives improved models, the cross-validation of data and proliferation of errors. My talk is […]

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 […]

ChemSpider – Does Community Engagement work to Build a Quality Online Resource for Chemists?   Leave a comment

This is my presentation at the Skolnik Symposium at ACS Denver to honor the contributions of Alexander “Sandy” Lawson to our domain of Cheminformatics. ChemSpider – Does Community Engagement work to Build a Quality Online Resource for Chemists? With an intention to provide a high quality free internet resource of chemistry related data for the […]

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