fu,p Predictor

Welcome to the fu,p predictor, a program for the prediction of fu,p (fraction unbound in human plasma).

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
fu,p class 3 class
  • Low (0.001-0.05)
  • Medium (0.05-0.2)
  • High (0.2-1.0)
Watanabe et al. 2
  • Accuracy: 0.676
  • True positive rate in Low class: 0.826
  • Mordred4
  • PaDEL5
fu,p Regression fu,p value Watanabe et al. 2 R2 = 0.691 RF3
  • 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., Esaki, T., Kawashima, H., Natsume-Kitatani, Y., Nagao, C., Ohashi, R., Mizuguchi, K., Predicting fraction unbound in human plasma from chemical structure: improved accuracy in the low value ranges. Mol. Pharm. 2018; 15(11):5302-5311.
  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.