User Guide

dGbyG web includes two main functions:
  • Search GEMs – Search across 115 GEMs and view thermodynamic information for models, reactions, metabolites, and genes.
  • Predict Δr – Predict ΔrG° for custom reaction equations, including single-reaction and batch modes.
Predict Δr
1️⃣ Choose an Identifier Type

Choose the identifier type used in your equation: SMILES, InChI, InChI Key, KEGG, MetaNetX, HMDB, Name, BiGG (universal), ChEBI, PubChem, or Mixed.

✔ For best accuracy, use SMILES or InChI whenever possible.

If you use BiGG metabolite IDs, remove compartment suffixes (e.g., succ_c → succ).

2️⃣ Enter a Balanced Chemical Equation
  • Put spaces around + and = (example: A + B = C).
  • Put a space between a coefficient and a compound (example: 2 H2O).
  • If you mix identifier types, use the format TYPE:ID.

You can load example equations using the auto-fill options on the prediction page.

Single Equation Input
3️⃣ Check the Prediction Output

For a single reaction, the results page shows:

  • The predicted ΔrG° (kJ/mol).
  • The standard deviation (SD).
  • The reaction equation you submitted.
  • The conditions used (pH, I, pMg, E, T).
Single Prediction Result
Batch Mode (Up to 100 Reactions)

In batch mode, enter one equation per line. All reactions use the same identifier type and the same global settings for pH, I, pMg, and E. Temperature is fixed at 298.15 K.

Batch Input Interface
Batch Output
  • A table with ΔrG° and SD for each reaction.
  • Failed entries are marked with an error message.
  • You can download the results as a CSV file.
Batch Results