/Girolami

A simple Python script for predicting liquid densities using Girolami's method.

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

Girolami

This is a simple implementation of Girolami's method, a very simple technique to estimate the density of a liquid compound based on group contributions. Although a bit crude, it has shown very good results.

The following results follow from the comparison with a density dataset originally elaborated by US Environmental Protection Agency. As can be readily seen, the method is quite accurate, and fails apreciably only for a few outsider values.

Mean error 0.082 g·cm-3
Std. dev. 0.095 g·cm-3
Maximum error 1.479 g·cm-3

Distribution of error