From: DeepSA: a deep-learning driven predictor of compound synthesis accessibility
Compound name | 2D | DeepSA | GASA | SAscore | RAscore | SYBA | SCScore | Synthesis steps | Refs. |
---|---|---|---|---|---|---|---|---|---|
Cularine | 0.999 | 0.458 | 2.933 | 0.939 | −0.556 | 3.706 | 16 | [31] | |
Goniomitine | 0.999 | 0.165 | 3.831 | 0.314 | −16.213 | 4.376 | 12 | [32] | |
Fusaequisin A | 0.976 | 0.008 | 5.066 | 0.023 | −51.766 | 3.925 | 20 | [33] | |
Haliclonin A | 0.960 | 0.002 | 6.513 | 0.131 | −97.488 | 3.982 | 38 | [34] | |
Hyacinthacine A1 | 0.959 | 0.108 | 3.847 | 0.638 | −17.617 | 3.446 | 13 | [35] | |
Hydroxyancepsenolide | 0.744 | 0.029 | 3.892 | 0.018 | −33.231 | 4.000 | 13 | [36] | |
Kirkamide | 0.630 | 0.475 | 4.142 | 0.264 | −16.188 | 3.161 | 11 | [37] | |
Longianone | 0.727 | 0.190 | 4.666 | 0.668 | −45.744 | 2.857 | 14 | [38] | |
Simpotentin | 0.522 | 0.075 | 4.560 | 0.201 | 25.489 | 3.643 | 14 | [39] | |
Halomon | 0.403 | 0.688 | 4.847 | 0.302 | −6.849 | 2.588 | 10 | [40] | |
Dihydropinidine | 0.340 | 0.455 | 3.275 | 0.927 | −29.819 | 3.102 | 9 | [41] | |
Scorodonin | 0.306 | 0.452 | 4.831 | 0.907 | −26.430 | 2.160 | 6 | [42] | |
Pinnatolide | 0.294 | 0.718 | 3.534 | 0.547 | −6.103 | 2.498 | 7 | [43] | |
Tanikolide | 0.289 | 0.371 | 3.072 | 0.797 | 2.726 | 3.218 | 7 | [44] | |
Sedridine | 0.128 | 0.924 | 3.324 | 0.990 | −23.154 | 2.987 | 7 | [45] | |
Isolaurepan | 0.117 | 0.958 | 2.790 | 0.393 | 22.754 | 3.609 | 4 | [46] | |
cis-Perhydroazulene | 0.086 | 0.724 | 2.532 | 0.965 | 10.031 | 2.746 | 8 | [47] | |
Gabapentin | 0.071 | 0.770 | 2.400 | 0.973 | 2.213 | 2.161 | 3 | [48] |