Predict τ_res from SMILES

Enter a SMILES string and select a kinase target. The model returns predicted residence time with a ×3 confidence envelope and similar known compounds.

SMILES string

Paste from ChemDraw, RDKit, or any SMILES source. Examples: imatinib · pirtobrutinib · nilotinib

Target kinase

Tier 1 = R² ≥ 0.60, actionable within ×3. Tier 2 = R² ≥ 0.50, use with caution.

Free account required — 3 predictions/month on the free tier

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Predicted residence time

How accurate is this?

Model R² —

Tier —

k_off (s⁻¹) —

Most similar known compounds

Compound	Measured τ_res	Tanimoto	Source

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