Hi, I am trying to train a predictor from some docking results. To do this I will need both true negative and true positive datasets. These datasets must have a PDB, small molecule and an indication of whether they interact.
I can probably make a true positive dataset by finding all PDBs which are bound to a small molecules but I'm not sure about the true negatives. I'm hoping that these datasets exist already from other publications.
Does anyone know where I might find these datasets? Thanks, Kevin