EUGM 2013 - Miklos Vargyas (ChemAxon) - Why JChem breaks the sausage principle

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Why was it a good choice when you decided to buy and deploy JChem Base or the JChem Oracle Cartridge? Why should you do that if you have not decided yet? And why should you stay with it for the next decade?

Is it because it provides the best chemistry on the market? Or because of the great new features we developed in the past year, like the enhanced stereochemistry in tautomer search, the slick migration that the new Cartridge features offer or the breathtaking speed-up of the tautomer search which is now often a 1000 times faster?

None of them. Talented individuals, small start-ups can copy bits and pieces of these features and functions. And they indeed do copy them. However, they could hardly implement the whole thing, since to do that, they would have to copy the culture and all the knowledge we gained in the past decade.

This presentation offers a sneak peek into how JChem Base and JChem Oracle Cartridge are being developed, maintained and supported.
We will enter the workshop and watch great craftsmen building these “machines”. Why and how can the nine of them keep the work going while the number of users of JChem Base and Cartridge have grown over 60 times in the past decade?

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EUGM 2013 - Miklos Vargyas (ChemAxon) - Why JChem breaks the sausage principle

  1. 1. Why  JChem  breaks  the  sausage  principle  Miklos  Vargyas  
  2. 2. "People who love sausage andrespect the lawshould never watch either onebeing made.”Otto von Bismarck
  3. 3. speed up the tautomersearch in the database!
  4. 4. As a registrar at BIGPharma Iwould like to be able to pre-check if the structure to beregistered exists in the database inany tautomer form so that I canavoid entering duplicates.!
  5. 5. Acceptance criteria! full fragment search ! in reasonable time! using reasonable memory!

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