RADPT — Rajpal Agrawal Drug Prediction Tool

RADPT

Sign in with Google to run ADMET screens. The NCE library is private and visible only to the authorised admin account.

Any Google account can run screens. Only the authorised admin account can open, edit or delete the library.

01 — Find or draw structure

Search compound by name (PubChem — 100M+ compounds)

or draw / edit below

Draw and edit directly on the canvas — pick an atom, a bond order or ring template, tap to place. The SMILES updates live below.

Loading editor…

Current SMILES (live — read-only) …or paste a SMILES and load it into the editor

02 — Analyze

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, or pick from the library.

Batch ADMET screening — run a whole series in one go

Paste molecules — one per line, as Name, SMILES (or just SMILES)

📄 or click / drop a CSV here (columns: name, smiles)