SwissADME Calculate Adme
Compute ADMET properties, drug-likeness, and medicinal chemistry friendliness of a small molecule from its SMILES string using SwissADME. Returns 49 properties across 6 categories: physicochemical properties (MW, TPSA, rotatable bonds, H-bond donors/acceptors), lipophilicity (iLOGP, XLOGP3, WLOGP, MLOGP, consensus LogP), water solubility (ESOL, Ali, Silicos-IT with log S, mg/ml, mol/l, and class), pharmacokinetics (GI absorption, BBB permeation, Pgp substrate, CYP1A2/2C19/2C9/2D6/3A4 inhibition…
Overview
Compute ADMET properties, drug-likeness, and medicinal chemistry friendliness of a small molecule from its SMILES string using SwissADME. Returns 49 properties across 6 categories: physicochemical properties (MW, TPSA, rotatable bonds, H-bond donors/acceptors), lipophilicity (iLOGP, XLOGP3, WLOGP, MLOGP, consensus LogP), water solubility (ESOL, Ali, Silicos-IT with log S, mg/ml, mol/l, and class), pharmacokinetics (GI absorption, BBB permeation, Pgp substrate, CYP1A2/2C19/2C9/2D6/3A4 inhibition, skin permeation), drug-likeness (Lipinski, Ghose, Veber, Egan, Muegge rule violations, bioavailability score), and medicinal chemistry (PAINS alerts, Brenk alerts, leadlikeness, synthetic accessibility). Computation takes 5-15 seconds.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default SwissADME Calculate Adme call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_SwissADME_calculate_adme
- Tool name
- SwissADME_calculate_adme
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse