Predict logP and McGowan Volume

Added two new properties in the live prediction.

It is now possible to predict the Octanol/Water partition coefficient (logP) using the Crippen method and the McGowan volume on Cheméo.

For example, you can run the predictions for Aspirin.

The planned improvements for the next weeks are the automatic pull of the experimental data for the molecule being drawn and a list of similar molecules. The list of similar molecules will be relatively easy, albeit the need to control the search timeout to keep instant answers at the possible cost of not updating the list. We will see in practice the response time effec to still get a desktop feeling when using the application.

Created: Tue 21 April 2015
Updated: Wed 07 June 2023
By Loïc d'Anterroches.

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