fit_Kd_direct

fit_Kd_direct(
    input_df
    model
    LsT
    Ns=None
    compound_sel=False
    fix_ymin=False
    fix_ymax=False
    ci=True
    verbose=False
)

Function for fitting the dir_simple, dir_specific and dir_total models.

Parameters

Name Type Description Default
input_df DataFrame Pandas DataFrame containing the input data. required
model str Name of the model. Options: dir_simple, dir_specific, dir_total required
LsT float or int Total concentration of the labeled ligand. required
Ns float or int Parameter for nonspecific binding of the labeled ligand (needed only for dir_total model). None
compound_sel list List of compounds to execute the function on. If set to False, all compounds will be used. False
fix_ymin float or int Lower asymptote of the model will be fixed at the provided value. If set to “False”, it will be fitted freely. False
fix_ymax float or int Upper asymptote of the model will be fixed at the provided value. If set to “False”, it will be fitted freely. False
ci bool Whether to calculate 95% confidence intervals. True
verbose bool If set to “True”, more detailed output is printed. Intended mainly for troubleshooting. False

Returns

Name Type Description
DataFrame Pandas DataFrame containing the fit results.