10.5281/zenodo.3978440
https://zenodo.org/records/3978440
oai:zenodo.org:3978440
Noor, Elad
Elad
Noor
0000-0001-8776-4799
ETH Zurich
Training data for the component contribution method
Zenodo
2020
Beber, Moritz Emanuel
Moritz Emanuel
Beber
0000-0003-2406-1978
DTU
2020-08-10
https://randr.nist.gov/enzyme/Default.aspx
10.1371/journal.pcbi.1003098
https://gitlab.com/equilibrator/component-contribution
10.5281/zenodo.3978439
1.0
Creative Commons Attribution 4.0 International
Data files containing measured Gibbs free energies of reaction and formation (or electrostatic potential). This data is used by the component-contribution method to train the regression model that is used to estimate Gibbs free energies of many other biochemical reactions.