Cheméo is Back Online

Finally, Cheméo is again available.

It took a month longer than planned, but I must say, I am really happy to have Cheméo back online! I am not totally sure about the stability of the new system as I am experimenting a bit with a new Docker based deployment system. For the moment, it runs smoothly.

A really nice thing for you is that you can run physical/chemical property predictions using the Joback Method directly in the browser. This is done in real time.

You can also find similar molecules to a target. It is easy because you simply provide the target as a SMILES. If you can't remember the SMILES, you can draw the molecule with an easy to use molecular drawing tool.

The next things to come are:

  • adding a bit of copyrights and links to the software used;
  • opening the user area to manage your list of molecules;
  • opening the access to the regression tools.

But all in all, I am very happy.

Update: Working like a charm, the site is fast and very responsive. I can now start to deploy the more advanced features.

Created: Fri 20 February 2015
Updated: Tue 24 February 2015
By Loïc d'Anterroches.

Tags: News Cheméo
Archives: 2015 / February
Fluid Phase Equilibria, Chemical Properties & Databases
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