Help Guide

Learn how to explore ΔG information in GEMs and predict custom reaction thermodynamics

dGbyG offers two main services for thermodynamic analysis:

Reaction Predictor

1️⃣ Choose Identifier Type

Supported: SMILES, InChI, InChI_Key, KEGG, MetaNetX, HMDB, Name, BiGG (universal), ChEBI, PubChem, Mixed.

✔ Recommended for accuracy: SMILES or InChI

BiGG ID users: remove compartment suffix (e.g., succ_c → succ)

2️⃣ Enter Balanced Chemical Equations
  • Use spaces around “+” and “=” → A + B = C
  • Place a space between coefficient and compound → 2 H2O
  • Mixed identifiers: TYPE:ID

Sample equations available via auto-fill examples.

Single Equation Input
3️⃣ View Prediction Output

The results show:

  • Predicted ΔrG° (kJ/mol)
  • Standard deviation (SD)
  • Submitted reaction equation
  • Applied reaction conditions (pH, I, pMg, E, T)
Single Prediction Result
Batch Mode (Up to 100 Reactions)

Enter multiple equations (one per line). All reactions share the same identifier type and global pH / I / pMg / E settings. Temperature is fixed at 298.15 K.

Batch Input Interface
Batch Output
  • Table layout with ΔG and SD per reaction
  • Failures show error messages
  • CSV download available
Batch Results