Renal-ex Predictor

Welcome to the Renal-ex predictor, a program for the prediction of fe (fraction excreted in urine, Low/Medium-High), CR type (clearance ratio type, Reabsorption/Intermediate/Secretion), and CLr (renal clearance)

How to use

Upload molecule(s) as an SDF/MOL file and click the "Proceed" button.

The model information

Model Type Output Dataset Accuracy Method Descriptor
fe class 2 class
  • Low (< 0.3)
  • Medium-High (> 0.3)
Watanabe et al. 2
  • Kappa: 0.49
  • Balanced accuracy: 0.74
  • Mordred4
  • PaDEL5
CR type 3 class
  • Reabsorption
  • Intermediate
  • Secretion
Watanabe et al. 2
  • Kappa: 0.32
  • Balanced accuracy: 0.70, 0.58 and 0.68 in Reabsorption, Intermediate and Secretion, respectively
  • Mordred4
  • PaDEL5
CLr Regression
  • CLr value
Watanabe et al. 2
  • In higher range of CLr (more than 1.02 mL/min/kg), 70.5% of samples were fell in within 2-fold error
  • RF3
  • PLS
  • Mordred4
  • PaDEL5

For details please refer to Watanabe et al. 2


  1. O'Boyle, N. M.; Banck, M.; James, C. A.; Morley, C.; Vandermeersch, T.; Hutchison, G. R., Open Babel: An open chemical toolbox. J. Cheminform. 2011; 3:33.
  2. Watanabe, R.; Ohashi, R.; Esaki, T.; Kawashima, H.; Natsume-Kitatani, Y.; Nagao, C.; Mizuguchi, K.: Development of an in silico prediction system of human renal excretion and clearance from chemical structure information incorporating fraction unbound in plasma as a descriptor. Sci. Rep. 2019; 9(1):18782.
  3. Breiman, L., Random Forest. Machine Learn. 2001; 45(1):5-32.
  4. Moriwaki, H.; Tian, Y. S.; Kawashita, N.; Takagi, T., Mordred: a molecular descriptor calculator. J. Cheminform. 2018; 10(1):4.
  5. Yap, C. W., PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints. J. Comput. Chem. 2011; 32(7):1466-1474.