ADMETLab 2.0/3.0 Tutorial: Free ADMET Prediction Online

By BioDockify Computational Research Team · September 19, 2026 · Tutorial

ADMETLab 2.0 and 3.0 tutorial: free online ADMET prediction explained — which endpoints matter, how to read the probability outputs, and cross-validation with a second tool.

Read the complete article with tables, code and references on BioDockify.

Key References

• Xiong, G. et al. ADMETlab 2.0. Acta Pharmacol. Sin. 42, 1197–1207 (2021). DOI: 10.1038/s41401-021-00715-4
• Daina, A. et al. SwissADME. Eur. J. Med. Chem. 123, 182–198 (2017). DOI: 10.1016/j.ejmech.2016.09.023
• Pires, D.E.V. et al. pkCSM. J. Med. Chem. 58, 4066–4072 (2015). DOI: 10.1021/acs.jmedchem.5b00104
• Lipinski, C.A. et al. Adv. Drug Deliv. Rev. 23, 3–25 (1997). DOI: 10.1016/S0169-409X(96)00423-1

Scope & Limitations

Models are trained on public data with class imbalance — probabilities near 0.5 are coin flips Predictions describe the training population; exotic chemistries fall outside applicability domains