is-sfe

Information System "Supercritical Fluid Extraction" has developed as tool for collecting and analyzing the experimental data from various supercritical fluids experiments.
The final target is to help to scientists who worked with supercritical fluids to predict some useful properties such as density, solubility etc.
In order to calculate molecular descriptors, parse SMILES and another applied purposes is used Chemistry Development Kit (https://sourceforge.net/projects/cdk).