Machine learning-based unified models for predicting drug clearance from pharmacokinetic animal and study design variables
Fig 7
Goodness-of-fit metrics of RF model for the true vs predicted value for (A) all dataset, (B) ungulates dataset, (C) small ruminants, (D) companion animals dataset.
True (Actual) values are fitted in the best-fit line (test data – cyan, train data – pink), and light, dark blue scatters correspond to the predicted values of test and training respectively. A vertical column separation (dashed line) is given for outcomes corresponding to three different groups: (i) datasets where all routes of administration are taken into consideration (hybrid ML CL); (ii) considering datasets with only route IV is selected, and (iii) datasets with all the routes except IV (non-IV) are considered. (70:30 train:test data splitting ratio).