HemoPI-MOD2

Chemical-based hemolytic prediction.

Submit your peptide or peptidomimetic as SMILES strings to calculate a continuous HC50 estimate using 2D Mordred molecular descriptors.

SMILES Format Guidelines

Enter canonical or isomeric SMILES strings, one per line. If IDs are included, separate them with a space or tab after the SMILES string.

  • CC(C)CC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)N)C(=O)O (Leu-Ala-Gly-Leu-Leu)
  • CC(C)CC(NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(=O)O mol_02 (Stereospecific with ID)

Lines beginning with # are treated as comments and ignored.

Chemical Model: Generates 2D Mordred molecular descriptors from the supplied SMILES representations for chemical property prediction.

SMILES Structure Submission

Paste SMILES Strings
Or upload SMILES / TXT file:
0 structures Max 100 structures per job