Draw and edit directly on the canvas — pick an atom (right), a bond order or ring template (left), tap to place, use the eraser/trash to remove. Undo/redo are built in. The SMILES updates live below.
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02 — Analyze
ADMET
Toxicity
Tox21
Drug-likeness
Med-Chem
Stability
Synthesis
Predictions are generated by an AI model reasoning over molecular structure and established medicinal-chemistry and
toxicology patterns. Treat results as a first-pass in-silico triage, and confirm anything decision-relevant with
dedicated experimental assays or validated computational tools before acting on it.
Compare tray
No molecules queued. Analyze a structure and hit ＋ Add to compare.
NCE library
Compare molecules from library
Tick the saved molecules you want to compare side by side (2 or more).
Team members
Approve or revoke access. Approved members can view the library and add molecules (not delete).