Dataset Open Access

Training data for the component contribution method

Noor, Elad

Researcher(s)
Beber, Moritz Emanuel

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.

Files (1.3 MB)
Name Size
formation_energies_transformed.csv
md5:a8b9f3c29fc0fb5f6588d470a5330927
18.9 kB Download
redox.csv
md5:c78c03f262f430c16760cc6032800de2
1.6 kB Download
TECRDB.csv
md5:b39e950384004d6aa6dbca60a94c72c1
1.3 MB Download
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