Introduction to ADMETlab 3.0

The web-based platform ADMETlab 3.0 (https://admetlab3.scbdd.com/) is available for free.  It is intended to offer a thorough and precise in silico prediction of a variety of ADMET characteristics.  The platform is accessible to both researchers and students due to its user-friendly interface.

Several predictive models, such as machine learning and deep learning algorithms, that have been trained on sizable, superior experimental datasets, are integrated into ADMETlab 3.0.  It includes a wide range of ADMET endpoints, such as:

Pharmacokinetics: Absorption (e.g., Caco-2 permeability, human intestinal absorption).

Distribution (e.g., blood-brain barrier penetration, plasma protein binding).

Metabolism: substrate/inhibition of cytochrome P450 (CYP).

Excretion: Half-life of the drug.

Toxicity includes carcinogenicity, hepatotoxicity, Hematotoxicity, and hERG Blockers.