Fingerprint Similarity & Clustering

Compute Tanimoto nearest neighbors, Butina clusters, MaxMin diversity picks, or Scanpy PCA/UMAP/Leiden clusters from Morgan or MACCS fingerprints.
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

Task and fingerprints

Choose one task per job. Morgan parameters apply only when Morgan fingerprints are selected.