fit_Kd_competition
fit_Kd_competition(
input_df
model
RT
LsT
Kds
N=None
compound_sel=False
fix_ymin=False
fix_ymax=False
ci=True
verbose=False
)
Function for fitting the comp_3st_specific
, comp_3st_total
, comp_4st_specific
and comp_4st_total
models.
Parameters
input_df |
DataFrame |
Pandas DataFrame containing the input data. |
required |
model |
str |
Name of the model. Options: comp_3st_specific , comp_3st_total , comp_4st_specific , comp_4st_total |
required |
RT |
float or int |
Total concentration of the receptor. |
required |
LsT |
float or int |
Total concentration of the labeled ligand. |
required |
Kds |
float or int |
Dissociation constant of the labeled ligand. |
required |
N |
float or int |
Parameter for nonspecific binding of the unlabeled ligand (needed only for comp_3st_total and comp_4st_total models). |
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
|
DataFrame |
Pandas DataFrame containing the fit results. |