Table 2.

Hyperparameter combinations used in the grid search

Model	l	w	d	b	RNN
GDB-13 1M	3	512	0, 25, 50	64, 128, 256, 512	GRU, LSTM
GDB-13 10K	2, 3, 4	256, 384, 512	0, 25, 50	8, 16, 32	LSTM
GDB-13 1K	2, 3, 4	128, 192, 256	0, 25, 50	4, 8, 16	LSTM
ChEMBL	3	512	0, 25, 50	64, 128, 256, 512	LSTM

Number of layers (l), dimensions of the RNN layers (w), dropout rate % (d), batch size (b), RNN cell type (RNN)