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Adding structures to Web pages and data to structures Alex Allardyce ChemAxon Presented at ACS Spring Meeting, Anaheim, 2011
Demo – index page ,[object Object],[object Object],[object Object],[object Object],Example: http://www.chemicalize.org/ Presented at ACS Spring Meeting, Anaheim, 2011
Demo – chemicalizing a Web page ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Example: http://www.chemicalize.org/?url=http%3A%2F%2Fen.wikipedia.org%2Fwiki%2FPenicillin Presented at ACS Spring Meeting, Anaheim, 2011
Demo – Structure based predictions ,[object Object],[object Object],[object Object],[object Object],[object Object],Example: http://www.chemicalize.org/structure/#!mol=Penicillin&source=parser Presented at ACS Spring Meeting, Anaheim, 2011
Demo – Structure search ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Examples: 1. http://www.chemicalize.org/search/#m=Penicillin/t=t/h=0 2. http://www.chemicalize.org/search/#m=Penicillin/t=t/h=0/c=46260/p=0 Presented at ACS Spring Meeting, Anaheim, 2011
Demo – Web search ,[object Object],[object Object],[object Object],Example: http://www.chemicalize.org/websearch/#m=Serotonin+sexual+preference+site%3Anature.com/p=0 Presented at ACS Spring Meeting, Anaheim, 2011
Who are we ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
Why did we do this ,[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
So why did we do this ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
chemicalize.org under the hood ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
ChemAxon bits ,[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
Use cases: ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
Stats: Raw numbers (Apr 1, 2010 – Mar 25, 2011) ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
What are they doing on the site Presented at ACS Spring Meeting, Anaheim, 2011
How busy are they? Presented at ACS Spring Meeting, Anaheim, 2011
Top domains Total domains:  13,390  Ave. 17.29 urls per domain Presented at ACS Spring Meeting, Anaheim, 2011
Top pages ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Data only available for last 2 weeks Presented at ACS Spring Meeting, Anaheim, 2011
Usage statistics – predictions Presented at ACS Spring Meeting, Anaheim, 2011
Future plans..? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Presented at ACS Spring Meeting, Anaheim, 2011
Thanks to ,[object Object],[object Object],[object Object],[object Object],[object Object]

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Chemicalize org: Adding structures to web pages and data and Web links to structures: ACS Anaheim 2011

  • 1. Adding structures to Web pages and data to structures Alex Allardyce ChemAxon Presented at ACS Spring Meeting, Anaheim, 2011
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  • 14. What are they doing on the site Presented at ACS Spring Meeting, Anaheim, 2011
  • 15. How busy are they? Presented at ACS Spring Meeting, Anaheim, 2011
  • 16. Top domains Total domains: 13,390 Ave. 17.29 urls per domain Presented at ACS Spring Meeting, Anaheim, 2011
  • 17.
  • 18. Usage statistics – predictions Presented at ACS Spring Meeting, Anaheim, 2011
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Notas del editor

  1. kloc = thousands lines of code (source). Not a great deal
  2. some structures have more than 1 name
  3. Grphic says: first 4 are key (are delivered as a default but not closed) Next 3 are merely popular Next 6 are not as popular Popular non default predictions are pKa->geometry