Molecular Energy Prediction on Drugs (test)
959.94Energy (Hartrees)EGInterpolator
Evaluation Results
| Method | Links | |
|---|---|---|
| EGInterpolatorSMILES=Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1, Block=Block 32026.04 | 959.94 | |
| EGInterpolatorSMILES=Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1, Block=Block 22026.04 | 960.027 | |
| EGInterpolatorSMILES=Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1, Block=Block 42026.04 | 960.037 | |
| EGInterpolatorSMILES=Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1, Block=Block 12026.04 | 960.062 | |
| GTSMILES=Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1, Block=GT2026.04 | 960.102 | |
| EGInterpolatorSMILES=Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1C, Block=Block 32026.04 | 1,185.785 | |
| EGInterpolatorSMILES=Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1C, Block=Block 12026.04 | 1,185.837 | |
| EGInterpolatorSMILES=Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1C, Block=Block 22026.04 | 1,185.846 | |
| EGInterpolatorSMILES=Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1C, Block=Block 42026.04 | 1,185.854 | |
| GTSMILES=Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1C, Block=GT2026.04 | 1,185.987 | |
| EGInterpolatorSMILES=CCOC(=O)[C@H]1C@HNC(=O)N[C@@]1(O)C(F)(F)F, Block=Block 42026.04 | 2,171.167 | |
| EGInterpolatorSMILES=CCOC(=O)[C@H]1C@HNC(=O)N[C@@]1(O)C(F)(F)F, Block=Block 32026.04 | 2,171.195 | |
| EGInterpolatorSMILES=CCOC(=O)[C@H]1C@HNC(=O)N[C@@]1(O)C(F)(F)F, Block=Block 22026.04 | 2,171.212 | |
| EGInterpolatorSMILES=CCOC(=O)[C@H]1C@HNC(=O)N[C@@]1(O)C(F)(F)F, Block=Block 12026.04 | 2,171.224 | |
| GTSMILES=CCOC(=O)[C@H]1C@HNC(=O)N[C@@]1(O)C(F)(F)F, Block=GT2026.04 | 2,171.285 |