Fig. 1From: Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitorsChemical space exploration with RNNs. a Direct chemical space exploitation around known active molecules. Generator_1 is used to generate SMILES sequences, after being trained with SMILES sequences of active molecules. b Chemical space exploration for an unknown space. RNNs and virtual screening are combined to realize virtual screening based on local chemical space. Molecules are generated with generator_2, which has been trained through TLBack to article page