Determination of binding constants from titration dataThis is a development version! Stuff might (will!) go wrong...

Welcome!

On this webpage you can determine binding/association constants from titration data using any equilibrium model.
We do not use commonly known approximation methods such as the Benesiâ€“Hildebrand or Scatchard plot, but we use non-linear optimization
to fit the observed titration data to calculated titration data, which we calculate by numerically solving equilibrium concentrations
from a set of binding constants and equilibrium reactions. We therefore don't have to algebraically solve for the equilibrium species
concentrations (Hunter's method;
recently implemented by Thordarson at Supramolecular.org), which limits the equilibrium
models to 1:1, 1:2 and 2:1 stoichiometries. Our website offers functionality similar to HypNMR.

Insert your titration data in the tables below.
Show me how!info_outline

Or load example data and play around:
UV-visNMRITC

Initial concentrations

Observed values

Select or define the equilibrium model.
Show me how!info_outline

{{s.name}}

System of equilibria (formula format)

{{expr}}

System of equilibria (table format)

Statistical factors

Set the optimization parameters in the fields below.
Show me how!info_outline

Binding constant and cooperivity parameters

Coefficients

Optimize!Stop

Fitting results

Sum of squared residuals (SSR): {{SSR}}Averaged R^{2}: {{compoundR2}}R^{2} @ {{obs_names[0][$index]}}: {{R2[$index]}}

Raw data output

Copy this data into spreadsheet (delimiter = [tab])

X-axis scale: {{ chart_xaxis_scale }}Titration curvesExperimental titration curves and calculated titration curves.Residual errorsDifference between experimental titration curves and calculated titration curves.Species mole fractionsCalculated species mole fractions from the fitted binding constant and alpha parameters.