notesum.ai
Published at November 11Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening
cs.LG
cs.AI
Released Date: November 11, 2024
Authors: Zhangfan Yang, Junkai Ji, Shan He, Jianqiang Li, Ruibin Bai, Zexuan Zhu, Yew Soon Ong
| Name | PubChem ID | Confidence (%) | Weight () |
|---|---|---|---|
| CHEMBL1571559 | 600593 | 97.0395 | 176.17 |
| CHEMBL1495267 | 839273 | 96.9385 | 176.17 |
| CHEMBL1866947 | 750687 | 96.9329 | 180.14 |
| CHEMBL1331002 | 741419 | 96.8854 | 175.25 |
| CHEMBL1471518 | 601953 | 96.8728 | 180.14 |
| CHEMBL22608 | 10726577 | 96.8647 | 196.59 |
| CHEMBL373066 | 44407700 | 96.8593 | 186.17 |
| CHEMBL8130 | 136023340 | 96.8491 | 201.18 |
| CHEMBL1709155 | 135447995 | 96.8387 | 199.21 |
| CHEMBL1980161 | 20135774 | 96.8339 | 167.59 |
| CHEMBL1372588 | 11401613 | 96.8286 | 213.66 |
| CHEMBL312138 | 516636 | 96.8281 | 146.15 |
| CHEMBL8362 | 135429981 | 96.8223 | 215.21 |
| CHEMBL1444165 | 5418133 | 96.8163 | 221.62 |
| CHEMBL1885120 | 242567 | 96.8147 | 144.17 |
| CHEMBL5281891 | 11117054 | 96.8139 | 200.19 |
| CHEMBL4542958 | 28342906 | 96.8049 | 149.15 |
| CHEMBL1993673 | 135489792 | 96.7984 | 204.21 |
| CHEMBL1836358 | 10104270 | 96.7928 | 201.25 |
| CHEMBL277134 | 44269793 | 96.7886 | 249.25 |