RADPT — Rajpal Agrawal Drug Prediction Tool

RADPT

Screening and your own library work without an account. Sign in only to reach the shared admin library in the cloud.

Your own library is stored in this browser and is never uploaded. Only the authorised admin account can open or edit the cloud library.

Find or draw a 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

Screen

Every value shown is either computed deterministically from the molecular graph (RDKit), retrieved from PubChem, or retrieved as a measured assay value from ChEMBL. Nothing is estimated or inferred. Where no source has data for an endpoint, RADPT shows the gap rather than filling it. Measured ChEMBL values come from heterogeneous assays and laboratories — read the assay counts and ranges, not just the median.

Compare tray

No molecules queued.
Screen a structure and hit ＋ Add to compare, or pick from a library.

Batch 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)