Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行227次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00509
Optimization of DrugBank DB00628
Optimization of DrugBank DB01425
Optimization of DrugBank DB01493
Optimization of DrugBank DB02629
Optimization of DrugBank DB02754
Optimization of DrugBank DB02927
Optimization of DrugBank DB04267
Optimization of DrugBank DB04384
Optimization of DrugBank DB04606
Optimization of DrugBank DB04830
Optimization of DrugBank DB06510
Optimization of DrugBank DB07337
Optimization of DrugBank DB07849
Optimization of DrugBank DB08193
Optimization of DrugBank DB08989
Optimization of DrugBank DB09002
Optimization of DrugBank DB11411
Optimization of DrugBank DB11458
Optimization of DrugBank DB12380
Optimization of DrugBank DB12549
Optimization of DrugBank DB12553
Optimization of DrugBank DB15308
Optimization of DrugBank DB16167
Optimization of C16H18N2O3, submit at Tue Oct 12 16:08:12 2021
Optimization of C12H9ClFN5, submit at Tue Oct 12 16:30:08 2021
Optimization of C6H6, submit at Thu Oct 14 17:23:44 2021
Optimization of C7H8, submit at Thu Oct 14 19:59:04 2021
Optimization of C40H56BrN5O8, submit at Fri Oct 15 09:06:10 2021
Optimization of C41H58BrN5O8, submit at Fri Oct 15 09:35:10 2021
Optimization of C15H14O5, submit at Fri Oct 15 09:35:24 2021
Optimization of C41H58BrN5O8, submit at Fri Oct 15 09:52:17 2021
Optimization of C41H58BrN5O8, submit at Fri Oct 15 09:54:52 2021
Optimization of C41H58BrN5O8, submit at Fri Oct 15 10:00:49 2021
Optimization of C8H10, submit at Fri Oct 15 15:09:29 2021
Optimization of C8H10, submit at Fri Oct 15 15:26:43 2021
Optimization of C12H18, submit at Fri Oct 15 15:33:33 2021
Optimization of C28H21NO8, submit at Thu Oct 21 11:23:38 2021
Optimization of C30H36Cl2FN3O3, submit at Mon Oct 25 15:15:33 2021
Optimization of C30H36Cl2FN3O3, submit at Mon Oct 25 15:15:33 2021
Optimization of C10H15N3O3, submit at Thu Oct 28 19:29:55 2021
Optimization of C10H15N3O3, submit at Thu Oct 28 19:48:05 2021
Optimization of C31H54, submit at Sat Nov 6 14:41:10 2021
Optimization of C31H54, submit at Sat Nov 6 14:41:13 2021
Optimization of C10H18, submit at Tue Nov 9 09:49:01 2021
Optimization of C29H28N2O3S, submit at Tue Nov 9 17:38:22 2021
Optimization of C29H35N2O4S+, submit at Tue Nov 9 18:00:54 2021
Optimization of C6H7NO, submit at Thu Nov 11 14:55:10 2021
Optimization of C30H30N2O4, submit at Fri Nov 12 15:28:21 2021
Optimization of C15H14, submit at Sun Nov 14 16:40:58 2021
Optimization of C7H8, submit at Sun Nov 14 18:04:56 2021
Optimization of C2H6, submit at Sun Nov 14 20:59:59 2021
Optimization of C29H33ClFNO4, submit at Mon Nov 15 10:17:22 2021
Optimization of C8H16, submit at Mon Nov 15 11:12:54 2021
Optimization of C6H12, submit at Mon Nov 15 15:42:58 2021
Optimization of C28H36Cl2N4O2, submit at Mon Nov 15 15:51:44 2021
Optimization of C28H30F3N3O2S, submit at Mon Nov 15 16:25:00 2021
Optimization of C24H27N5O3, submit at Tue Nov 16 09:14:45 2021
Optimization of C6H10O, submit at Sun Nov 21 22:39:30 2021
Optimization of C25H28+2, submit at Mon Nov 22 12:48:57 2021
Optimization of C26H30Cl2F11N2+, submit at Tue Nov 23 13:14:20 2021
Optimization of C27H32Cl2F11IN2, submit at Tue Nov 23 13:28:39 2021
Optimization of C29H43N3O8S, submit at Tue Nov 23 13:47:33 2021
Optimization of C7H9N, submit at Tue Nov 23 13:54:43 2021
Optimization of C26H31N5O4, submit at Tue Nov 23 14:05:41 2021
Optimization of C27H33N5O4, submit at Tue Nov 23 14:16:26 2021
Optimization of C18H14, submit at Tue Nov 23 18:07:56 2021
Optimization of C19H20O6, submit at Tue Nov 23 22:41:38 2021
Optimization of C16H19N3O5S, submit at Wed Nov 24 09:10:15 2021
Optimization of C6H10, submit at Wed Nov 24 15:16:03 2021
Optimization of C37H50, submit at Thu Nov 25 15:00:29 2021
Optimization of C23H32F3N5O4, submit at Fri Nov 26 13:09:23 2021
Optimization of C5H12, submit at Fri Nov 26 15:35:35 2021
Optimization of C16H24N2O2, submit at Fri Nov 26 22:23:32 2021
Optimization of C17H9Cl2N7O3, submit at Mon Nov 29 10:05:36 2021
Optimization of C10H17N3O5, submit at Mon Nov 29 15:51:04 2021
Optimization of C18H24, submit at Wed Dec 1 11:37:22 2021
Optimization of C12H12, submit at Wed Dec 1 15:36:58 2021
Optimization of C20H21Cl2N7O3, submit at Thu Dec 2 15:03:24 2021
Optimization of C19H16, submit at Thu Dec 2 15:16:16 2021
盘古分子优化器
Molecule Optimizer
以参考分子为起点,优化得到性质更优、结构新颖的分子
Starting from a candidate, optimizing towards better properties with novelty
Stay tuned
- 100 million drug-like compound screening
library with novel structure
- Compound-protein interaction prediction
- Molecule property prediction
- Novel drug-like molecule generation
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