cmf_krr_pred: To make predictions

Description Usage Arguments Examples

Description

To make predictiokns

Usage

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cmf_krr_pred(model_fname = "ligands-model.RData", kernels_train_fname = "ligands-kernels-train.RData", kernels_pred_fname = "ligands-kernels-pred.RData", act_colnum = 2, sep = ",", act_pred_fname = "activity-pred.txt", pred_fname = "ligands-pred.RData", ...)

Arguments

model_fname
kernels_train_fname
kernels_pred_fname
act_colnum
sep
act_pred_fname
pred_fname
...

Examples

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##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
function (model_fname = "ligands-model.RData", kernels_train_fname = "ligands-kernels-train.RData", 
    kernels_pred_fname = "ligands-kernels-pred.RData", act_colnum = 2, 
    sep = ",", act_pred_fname = "activity-pred.txt", pred_fname = "ligands-pred.RData", 
    ...) 
{
    load(model_fname)
    load(kernels_train_fname)
    load(kernels_pred_fname)
    iprop <- act_colnum
    if (iprop > 0) {
        act <- read.table(act_pred_fname, header = TRUE, sep = sep)
        y_exp <- act[, iprop]
    }
    else {
        y_exp <- NA
    }
    y_pred <- cmf_krr_pred_mem(model = model, kernels = kernels, 
        kernels_pred = kernels_pred, y_exp = y_exp, ...)
    pred <- list(y_pred = y_pred, y_exp = y_exp)
    save(pred, file = pred_fname)
    pred
  }

conmolfields documentation built on May 2, 2019, 4:18 p.m.