Cellfishing is a web-service that predicts the sensitivity of several cell lines with respect to the query compound. The prediction of a cell-line sensitivity to chemical compounds is a very important factor to
optimize in-vitro assays in the drug discovery processes.

The method is based on similarity between queries of compounds and our internal database. It is a direct similarity-based strategy is used in this approach for predictions of compounds-cell lines interactions. The current database comprises 129808 ligand-cell line associations classified as sensible and 950 cell lines.

e.g. CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)[C@]1(C)C=O

The output is a table like:

  • Col 1: Ordering number
  • Col 2: Cell Name as presented in ChemBL database
  • Col 3 and Col 4: Links the cell line information in the ChemBL and Cellosaurus databases respectively.