Finally, the sequence and the compound analysis blocks are merged and the information is processed by a sigmoid activation unit, which quantifies how likely the sequence-compound binding is. Binary predictions are obtained thresholding the activation at 0.5. All the models (both DL and LR) were trained with Adam optimizer 10 for 500 epochs, with a batch size of 128 for training and 64 for validation (learning rate=5e-6 for DL models encoded by fingerprints, 5e-5 for the rest). Decay rate was defined as learning rate/number of epochs.