Function that predict the uptake from the parameters of a Rex model

Function that predict the uptake from the parameters of a Rex model

uptakePredict(params)

Arguments

params

An object of class RexParams containing the parameters of the Rex model

Value

Returns a DataFrame of the predicted uptake

Examples

require(RexMS)
require(dplyr)
data("BRD4_apo")
BRD4_apo <- BRD4_apo %>% filter(End < 40)

numTimepoints <- length(unique(BRD4_apo$Exposure))
Timepoints <- unique(BRD4_apo$Exposure)

rex_example <- rex(HdxData = DataFrame(BRD4_apo),
                numIter = 4, # typically much larger
                R = max(BRD4_apo$End),
                numtimepoints = numTimepoints,
                timepoints = Timepoints,
                seed = 1L,
                numChains = 1L,
                tCoef = c(0, rep(1, 5)),
                BPPARAM = SerialParam())
#> Fold 1 ... Fold 2 ... Fold 3 ... Fold 4 ... Fold 5 ... 
#> 
  |                                                                            
  |                                                                      |   0%
rex_example <- RexProcess(HdxData = DataFrame(BRD4_apo),
                          params = rex_example,
                          thin = 1,
                          range = 1:4,
                          whichChains = c(1))
                          
uptakePredict(rex_example)                                      
#> DataFrame with 156 rows and 3 columns
#>       Residue timepoints    Uptake
#>     <numeric>  <numeric> <numeric>
#> 1           1          0         0
#> 2           1         15         0
#> 3           1         60         0
#> 4           1        600         0
#> 5           1       3600         0
#> ...       ...        ...       ...
#> 152        26         15  0.906399
#> 153        26         60  0.919757
#> 154        26        600  0.920000
#> 155        26       3600  0.920000
#> 156        26      14400  0.920000