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Table 5 Summary of training statistics

From: Convolutional neural network based on SMILES representation of compounds for detecting chemical motif

Subdataset

Time (s/epoch)

Memory (MiB)

Convergence (epoch)

NR-AR

121.7

6551

15

NR-AR-LBD

12.9

6459

19

NR-ER

36.0

2763

17

NR-ER-LBD

37.7

2309

25

NR-AhR

13.3

1475

33

NR-Aromatase

15.2

6317

20

NR-PPAR- γ

2.7

4413

23

SR-ARE

16.7

1615

18

SR-ATAD5

74.7

4581

21

SR-HSE

49.0

3047

15

SR-MMP

40.3

3427

9

SR-p53

8.3

1211

11

  1. The computation time is measured with a GPU server with NVIDIA Tesla P100 SXM2 16GB