Cheméo now provides for a bit more than 66,000 molecules, the corresponding Joback and Reid decomposition. The development of the Joback and Reid decomposition engine is an important step towards the setup of a property prediction engine.
As you can see for the Propanidid molecule, we sometimes have no publicly available data. Adding group contribution methods calculations will allow researchers and engineers to have better screening and help them not miss a possible candidate for their process.
The next step is to allow you to search by decomposition, for example, all the molecules with -CH3 and -CH2- groups. That would be interesting.
Sep 3, 2010
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