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. 2022 Feb 4;29(5):3313–3325. doi: 10.1016/j.sjbs.2022.01.058

Table 2.

The generated pharmacophore hypotheses.

N. Hypothesis Phasehypo-S Survival-S Inactive-S Site-S Vector-S Volume-S Selectivity-S
1 DHHRR_1 1.25 5.061 1.433 0.689 0.927 0.537 2.063
2 ADRR_1 1.18 5.032 1.234 0.982 0.922 0.409 1.955
3 AHHRR_1 1.17 4.964 1.283 0.725 0.957 0.502 1.936
4 AAHHR_1 1.16 4.829 1.329 0.772 0.957 0.521 1.733
5 ADHRR_1 1.15 4.813 1.698 0.775 0.898 0.411 1.775
6 ADHHR_1 1.14 4.805 1.237 0.696 0.926 0.544 1.793
7 ADHHR_2 1.13 4.798 1.269 0.701 0.983 0.465 1.804
8 AAHHR_2 1.11 4.777 1.333 0.607 0.937 0.525 1.864
9 ADHHR_3 1.10 4.764 1.464 0.671 0.961 0.491 1.797
10 AAHRR_1 1.09 4.719 1.298 0.854 0.724 0.481 1.883
11 AADHR_1 1.09 4.713 1.778 0.985 0.951 0.480 1.451
12 HHRR_1 1.09 4.572 1.391 0.742 0.923 0.554 1.509
13 AHHR_1 1.08 4.531 1.129 0.873 0.905 0.545 1.363
14 DHRR_1 1.07 4.524 1.645 0.824 0.846 0.410 1.489
15 AHHR_2 1.07 4.508 1.616 0.740 0.900 0.537 1.485
16 DHHR_1 1.06 4.469 1.513 0.668 0.944 0.548 1.465
17 ADHR_1 1.06 4.459 1.548 0.996 0.928 0.467 1.222
18 AAHR_1 1.06 4.426 1.766 0.995 0.937 0.465 1.183
19 AHRR_1 1.00 4.394 1.683 0.762 0.886 0.409 1.383
20 AHRR_2 0.96 4.389 1.386 0.923 0.695 0.498 1.495

S: Scores