Target prediction using local ChEMBL

Yesterday, I posed about target prediction using ChEMBLDB web API. If I want to predict many molecules, it will need many time. So, I changed code to use local chembldb. I used sqlalchemy, because the library is powerful and flexible to use any RDB. Test code is following. The sample code needs a smiles stringsContinue reading “Target prediction using local ChEMBL”