Scaffold Analyzer

Inventory Bemis–Murcko scaffolds in a SMILES library, report frequencies, and pick one representative per scaffold. Optionally compute pairwise MCS for a small set.
0 molecules ready
Estimated minimum cost: $—

Examples

Library

Paste SMILES strings one per line, or upload a .smi / .txt file. The first token on each line is used.

or drop a file here

Scores (optional)

Provide parallel scores (one number per library line) and/or a CSV/JSON table with a SMILES column and a score column (score, activity, value, dock_score). Parallel scores override the table when both are set.

or drop a file here

Grouping and representatives

Both Murcko and generic SMILES are written for every molecule. Grouping and the representative use the selected scaffold type.