Research Article
Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents
Table 2
Similarity of test compounds with respect to risperidone and ketanserin.
| Compd. no. | Similarity | Field similarity | Field score | Vol. Similarity | Volume score | Shape similarity | Shape score | | Ris. | Ket. | Ris. | Ket. | Ris. | Ket. | Ris. | Ket. | Ris. | Ket. | Ris. | Ket. | Ris. | Ket. |
| 7 | 0.620 | 0.672 | 0.483 | 0.539 | −48.519 | −52.436 | 0.806 | 0.787 | 204.854 | 193.544 | 0.756 | 0.804 | 192.146 | 197.828 | 8 | 0.619 | 0.648 | 0.541 | 0.480 | −50.853 | −46.808 | 0.709 | 0.784 | 201.876 | 191.679 | 0.697 | 0.815 | 175.958 | 199.110 | 9 | 0.659 | 0.686 | 0.552 | 0.576 | −55.523 | −57.483 | 0.783 | 0.802 | 198.906 | 197.155 | 0.766 | 0.795 | 193.085 | 193.834 | 10 | 0.610 | 0.683 | 0.525 | 0.565 | −49.877 | −55.710 | 0.748 | 0.772 | 189.082 | 188.609 | 0.696 | 0.801 | 175.690 | 195.756 | 11 | 0.661 | 0.689 | 0.542 | 0.594 | −53.226 | −59.520 | 0.740 | 0.799 | 194.220 | 203.325 | 0.781 | 0.783 | 205.048 | 199.232 | 12 | 0.626 | 0.659 | 0.512 | 0.501 | −48.374 | −49.907 | 0.770 | 0.803 | 200.828 | 202.951 | 0.740 | 0.818 | 193.227 | 206.720 | 13 | 0.676 | 0.721 | 0.581 | 0.635 | −56.250 | −64.061 | 0.824 | 0.820 | 216.246 | 208.667 | 0.772 | 0.808 | 202.659 | 205.442 | 14 | 0.658 | 0.716 | 0.549 | 0.610 | −53.264 | −58.534 | 0.745 | 0.802 | 194.555 | 202.734 | 0.768 | 0.823 | 200.627 | 208.108 | Average | 0.641 | 0.684 | 0.536 | 0.563 | −51.986 | −55.557 | 0.766 | 0.796 | 200.070 | 198.583 | 0.747 | 0.806 | 192.305 | 200.754 |
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