Kinase Profiler
Machine learning ligand-based models predicting small molecules inhibitory activity against >50 kinases
To run ProfhEX, either paste a SMILES string ( CC(CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C) OR upload a .csv,.txt,.smi file containing one SMILES per row ( for a template)
Once calculations are completed, results can be analyzed and downloaded.
Please note that the maximum number of processed molecules caps at 500 (*) (exceeding rows are ignored).
The report displays training set statistics and validation metrics.