Predict Properties

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Absorption v1 • Predicts solubility (log mol/L) and oral bioavailability (F%)

Cardiotoxicity v1 • Predicts activity on cardiac ion channels and related targets linked to cardiotoxicity.

Human Microsomal Clearance v1 • Predicts hepatic clearance (log10 μL/min/mg)

Drug Metabolizing Enzymes v1 • Predicts interactions with Cytochrome P450 and other metabolic enzymes.

Distribution v2 • Predicts BBB permeability, distribution volume, and protein binding.

hERG v2 • Predicts pIC₅₀ and activity class for hERG inhibition

Fraction Unbound in Plasma (fu) v1 • Predicts the fraction unbound in plasma (fu) - the pharmacologically active portion of drugs not bound to plasma proteins.

NaCa v1 • Predicts pIC₅₀ for NaV and CaV channel inhibition

Permeability v2 • Predicts permeability via Caco-2, MDCK, and PAMPA.

ADME v2 • Predicts ADME properties such as solubility, permeability, and hERG inhibition.

BiasNet v1 • Predicts GPCR signaling bias: G protein vs β-arrestin

Cell / Tissue v1 • Predicts cell/tissue response: none, low/medium, or high

Dog Microsomal Clearance v1 • Predicts hepatic clearance (log10 μL/min/mg)

Rat Microsomal Clearance v1 • Predicts hepatic clearance (log10 μL/min/mg)

Fraction Unbound (Brain, Plasma) v1 • Predicts the fraction of a compound not bound to proteins in brain tissue and plasma.

KinasepKi v1 • Predicts kinase–ligand pKi from SMILES & sequence

LigandNet v3 • Predicts pIC₅₀ for diverse protein and cell line targets.

MolGpKa v1 • Predicts atomic pKa values and identifies acidic/basic sites

Subcellular Location v1 • Predicts subcellular localization (e.g., nucleus, cytoplasm, mitochondria) for small molecules