Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行9863次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00177
Optimization of DrugBank DB00788
Optimization of DrugBank DB00852
Optimization of DrugBank DB00990
Optimization of DrugBank DB02632
Optimization of DrugBank DB03445
Optimization of DrugBank DB03759
Optimization of DrugBank DB04610
Optimization of DrugBank DB05134
Optimization of DrugBank DB05959
Optimization of DrugBank DB06257
Optimization of DrugBank DB08389
Optimization of DrugBank DB08485
Optimization of DrugBank DB09099
Optimization of DrugBank DB09198
Optimization of DrugBank DB11254
Optimization of DrugBank DB11431
Optimization of DrugBank DB11717
Optimization of DrugBank DB11758
Optimization of DrugBank DB12181
Optimization of DrugBank DB12836
Optimization of DrugBank DB13013
Optimization of DrugBank DB13094
Optimization of DrugBank DB13370
Optimization of DrugBank DB15644
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
Optimization of C12H19NO12P2S, submit at Fri Jul 29 15:50:43 2022
Optimization of C27H25F3N8O, submit at Mon Aug 1 11:45:23 2022
Optimization of C27H47+, submit at Wed Aug 3 20:21:33 2022
Optimization of C23H39+, submit at Wed Aug 3 20:34:31 2022
Optimization of C23H41+, submit at Wed Aug 3 21:26:15 2022
Optimization of C23H41+, submit at Thu Aug 4 02:58:46 2022
Optimization of C23H41+, submit at Thu Aug 4 02:58:47 2022
Optimization of C35H57NO10, submit at Sat Aug 6 10:17:49 2022
Optimization of C14H22, submit at Wed Aug 10 10:22:04 2022
Optimization of C11H6F3NO2S, submit at Fri Aug 12 00:11:32 2022
Optimization of C13H13NO3, submit at Fri Aug 12 10:35:29 2022
Optimization of C23H39+, submit at Fri Aug 12 11:04:53 2022
Optimization of C10H12, submit at Fri Aug 12 11:14:23 2022
Optimization of C13H16, submit at Mon Aug 15 10:12:26 2022
Optimization of C10H13BrN+, submit at Mon Aug 15 15:11:42 2022
Optimization of C6H6O, submit at Mon Aug 15 17:17:34 2022
Optimization of C18H19N3O2, submit at Mon Aug 15 19:36:46 2022
Optimization of C13H22, submit at Wed Aug 17 11:16:39 2022
Optimization of C56H48NO+, submit at Fri Aug 19 11:07:07 2022
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
盘古分子搜索
Molecule Search
以参考分子为查询起点,从海量分子数据库中检索出相似度排名靠前的分子
Starting from a candidate, retrieves the molecules with the highest similarity from the massive molecular databases
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