Published October 25, 2018
| Version 1.0
Dataset
Open
Group Contribution Models for Standard molar enthalpy of formation of gas phase at 298.15K
Authors/Creators
- 1. University of Plovdiv, Department of Analytical Chemistry and Computer Chemistry, 24 Tsar Assen St., Plovdiv 4000, Bulgaria
Description
A data set of several models for Heat of formation based on additive schemes (group contribution models).
Model building is performed by means of Ambit-GCM software (http://ambit.sourceforge.net/, https://doi.org/10.5281/zenodo.1470793).
QSPR models were built with a small training data set mainly for demonstration of Ambit-GCM software usage.
Files
Ambit-GCM_atomic_CorrectionFactors_model_results.txt
Files
(4.6 MB)
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