Table 3 Average recovery rates
Dataset | MACCS keys (166-bit) | ECFP4 (2048-bit) | ||||
|---|---|---|---|---|---|---|
1-NN | DFP | SB-DFP | 1-NN | DFP | SB-DFP | |
BRD2 | 43.7 (5.0) | 29.9 (13.7) | 13.8 (12.8) | 75.4 (5.2) | 28.4 (24.2) | 68.0 (7.1) |
BRD3 | 43.5 (4.8) | 32.0 (12.3) | 10.6 (11.3) | 74.4 (5.7) | 31.9 (23.8) | 68.7 (7.1) |
BRD4 | 30.0 (5.4) | 7.6 (7.7) | 4.5 (4.3) | 54.1 (6.2) | 2.7 (4.7) | 52.6 (8.1) |
CREBBP | 52.7 (4.7) | 45.5 (7.8) | 16.5 (16.2) | 79.0 (5.4) | 55.6 (25.0) | 73.7 (4.2) |
DNMT1 | 9.9 (5.2) | 0.5 (1.5) | 3.8 (3.9) | 12.9 (5.7) | 0.0 (0.0) | 17.7 (7.1) |
EHMT2 | 66.3 (7.1) | 40.9 (12.6) | 28.1 (17.8) | 80.1 (8.0) | 40.2 (23.5) | 78.4 (8.3) |
EP300 | 34.6 (7.5) | 5.5 (5.8) | 1.4 (2.7) | 50.2 (7.7) | 0.7 (2.8) | 37.0 (10.8) |
HDAC10 | 37.1 (8.6) | 34.2 (15.1) | 52.2 (11.1) | 36.5 (8.0) | 15.4 (12.3) | 51.1 (9.5) |
HDAC11 | 34.7 (8.3) | 22.5 (12.4) | 43.7 (12.1) | 39.6 (8.8) | 6.6 (6.4) | 49.3 (11.3) |
HDAC1 | 18.2 (6.1) | 15.8 (13.5) | 53.7 (6.3) | 30.9 (6.7) | 6.3 (5.1) | 51.1 (9.0) |
HDAC2 | 20.9 (7.0) | 20.1 (16.1) | 54.8 (6.9) | 31.3 (6.5) | 9.1 (6.0) | 44.7 (10.6) |
HDAC3 | 27.5 (8.7) | 27.3 (13.1) | 60.2 (8.1) | 32.0 (6.2) | 10.4 (6.6) | 45.4 (9.6) |
HDAC4 | 19.2 (4.7) | 9.1 (7.3) | 29.6 (11.0) | 44.9 (6.2) | 7.9 (11.2) | 45.8 (7.0) |
HDAC5 | 20.7 (9.6) | 30.2 (12.1) | 67.6 (4.4) | 23.1 (6.4) | 10.0 (4.3) | 32.0 (12.1) |
HDAC6 | 22.8 (6.7) | 32.0 (15.1) | 64.5 (4.3) | 25.7 (5.8) | 9.3 (9.1) | 44.6 (9.0) |
HDAC7 | 25.6 (8.4) | 36.6 (11.7) | 77.6 (4.5) | 28.4 (6.7) | 11.0 (4.9) | 38.6 (10.4) |
HDAC8 | 27.4 (7.0) | 33.9 (11.9) | 71.5 (9.5) | 29.6 (6.9) | 9.5 (3.9) | 46.2 (9.8) |
HDAC9 | 25.4 (9.0) | 34.9 (11.9) | 73.9 (9.7) | 27.7 (7.5) | 9.6 (8.7) | 38.4 (13.0) |
KAT2B | 55.3 (12.7) | 41.0 (8.7) | 37.6 (13.5) | 61.8 (10.8) | 35.3 (14.1) | 60.4 (9.4) |
KDM1A | 24.6 (5.1) | 13.3 (8.0) | 6.8 (5.6) | 53.3 (8.4) | 18.3 (15.1) | 58.4 (10.0) |
KDM4C | 12.2 (5.1) | 0.4 (1.0) | 11.5 (8.7) | 18.9 (6.4) | 0.1 (0.3) | 17.1 (5.8) |
L3MBTL1 | 62.2 (8.5) | 68.8 (4.6) | 66.0 (11.1) | 91.1 (4.6) | 94.5 (1.8) | 95.5 (2.3) |
L3MBTL3 | 59.5 (8.5) | 49.7 (4.2) | 37.4 (11.2) | 82.8 (6.6) | 71.1 (4.5) | 81.1 (6.8) |
MAP3K7 | 41.2 (6.0) | 19.8 (14.3) | 2.2 (3.1) | 56.6 (5.2) | 31.1 (23.8) | 58.0 (4.0) |
MGEA5 | 58.5 (25.6) | 84.8 (4.9) | 84.6 (1.7) | 86.3 (3.5) | 86.4 (2.0) | 87.6 (2.2) |
NCOA1 | 2.7 (2.1) | 0.0 (0.2) | 5.7 (5.1) | 5.5 (3.3) | 0.1 (0.3) | 5.5 (3.4) |
NCOA3 | 1.1 (0.9) | 0.1 (0.2) | 4.9 (4.5) | 2.6 (1.4) | 0.1 (0.3) | 4.1 (2.5) |
PRMT1 | 48.8 (8.7) | 2.8 (5.7) | 2.7 (4.3) | 52.8 (10.5) | 1.0 (3.8) | 55.3 (12.1) |
Average | 33.1 (19.6) | 26.4 (22.8) | 35.3 (29.1) | 46.0 (25.9) | 21.5 (28.4) | 50.2 (23.8) |