Table 1.
CAPRI‐Targets Overview
| Clusters | Clusters > 5 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Target | Total | High | Medium | Acceptable | Incorrect | Count | Count | Min. | Med. | Max. |
| T29 | 2083 (1773) | 2 (2) | 78 (72) | 87 (70) | 1916 (1629) | 925 (802) | 61 (49) | 6 (6) | 9 (9) | 147 (136) |
| T30 | 1343 (1106) | 0 (0) | 0 (0) | 2 (2) | 1341 (1104) | 741 (639) | 26 (24) | 6 (6) | 8.5 (7) | 50 (50) |
| T32 | 599 (572) | 0 (0) | 3 (3) | 12 (12) | 584 (557) | 224 (217) | 12 (12) | 6 (6) | 9.5 (9) | 168 (166) |
| T35 | 499 (467) | 0 (0) | 0 (0) | 3 (2) | 496 (465) | 198 (193) | 14 (12) | 4 (3) | 8 (7) | 131 (128) |
| T37 | 1500 (1112) | 11 (8) | 46 (34) | 42 (34) | 1401 (1036) | 629 (500) | 55 (41) | 6 (6) | 9 (8) | 35 (27) |
| T39 | 1400 (1261) | 0 (0) | 3 (3) | 1 (1) | 1396 (1257) | 465 (440) | 50 (44) | 6 (5) | 9 (8) | 94 (94) |
| T40(a/b) | 2180 (1886) | 193 (176) | 206 (163) | 189 (149) | 1592 (1398) | 479 (451) | 68 (57) | 6 (6) | 12 (10) | 373 (333) |
| T41 | 1200 (1029) | 2 (2) | 120 (99) | 249 (198) | 829 (729) | 141 (139) | 27 (25) | 6 (6) | 15 (13) | 343 (271) |
| T46 | 1699 (1321) | 0 (0) | 0 (0) | 24 (24) | 1675 (1297) | 754 (611) | 49 (35) | 6 (6) | 9 (8) | 43 (43) |
| T47 | 1051 (988) | 278 (278) | 307 (301) | 26 (20) | 440 (389) | 84 (82) | 24 (20) | 6 (6) | 15 (10) | 607 (595) |
| T50 | 1451 (1265) | 0 (0) | 36 (35) | 97 (89) | 1318 (1141) | 306 (284) | 41 (35) | 6 (6) | 11 (10) | 148 (138) |
| T53 | 1400 (1191) | 0 (0) | 17 (9) | 113 (92) | 1270 (1092) | 277 (260) | 45 (42) | 6 (6) | 10.5 (10) | 164 (150) |
| T54 | 1400 (1215) | 0 (0) | 1 (1) | 18 (18) | 1381 (1196) | 301 (285) | 55 (49) | 6 (6) | 12 (12) | 92 (92) |
The total number of clusters and models with high, medium, acceptable and incorrect quality in the score_set dataset are shown. For the cluster‐size cutoff > 5, the minimum, median and maximum number of models in a cluster are shown. Numbers in brackets indicate the number of models or clusters after removing solutions with steric clashes.