| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #787 | 3,Ru3 | Ru(2) | {"S": 1, "N": 1, "P": 2} |
{"P": 2} |
0.50 | {"N": 3, "S": 3} |
0.00 | -0.50 | v1 | сравнить 3D |
| #798 | 4 | Ru(2) | {"O": 1} |
{"N": 4} |
0.00 | {"N": 12} |
0.50 | +0.50 | v2 | сравнить 3D |
| #844 | 3 | Ru(2) | {"O": 1} |
{"N": 3} |
0.00 | {"N": 12} |
0.50 | +0.50 | v2 | сравнить 3D |
| #845 | 4 | Ru(2) | {"O": 1} |
{"N": 1} |
0.00 | {"N": 12} |
0.50 | +0.50 | v2 | сравнить 3D |
| #848 | 3 | Ru(2) | {"P": 1} |
{"P": 1, "N": 1} |
0.50 | {"N": 4, "P": 1} |
0.00 | -0.50 | v1 | сравнить 3D |
| #862 | 6 | Ru(2) | {"N": 1, "P": 1} |
{"P": 1} |
0.50 | {"N": 3, "P": 2} |
0.00 | -0.50 | v1 | сравнить 3D |
| #869 | NBD-Ru | Ru(2) | {"N": 1, "O": 3} |
|
0.00 | {"N": 9} |
0.50 | +0.50 | v2 | сравнить 3D |
| #3658 | MyriPyRu | Ru(0) | {"O": 2} |
{"S": 1} |
0.00 | {"N": 2, "S": 1} |
0.50 | +0.50 | v2 | сравнить 3D |
| #6973 | 3 | Rh(0) | {"Cl": 2, "N": 1} |
{"S": 3} |
0.00 | {"S": 6, "N": 1} |
0.50 | +0.50 | v2 | сравнить 3D |
| #473 | Ru1,RuL1 | Ru(2) | {"N": 1} |
{"N": 3} |
0.33 | {"N": 10} |
0.80 | +0.47 | v2 | сравнить 3D |
| #616 | KQ-Ru | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 3, "N": 12} |
0.47 | +0.47 | v2 | сравнить 3D |
| #759 | FOR022 | Ru(2) | {"Cl": 1, "N": 1} |
{"N": 4} |
0.20 | {"N": 9} |
0.67 | +0.47 | v2 | сравнить 3D |
| #782 | Ru2 | Ru(2) | {"O": 2, "S": 1} |
{"N": 2} |
0.00 | {"N": 13} |
0.46 | +0.46 | v2 | сравнить 3D |
| #248 | Ru3,3,1 | Ru(2) | {"N": 6} |
{"N": 5} |
0.83 | {"N": 16} |
0.38 | -0.46 | v1 | сравнить 3D |
| #387 | 2 | Ru(3) | {"O": 3, "N": 2, "P": 2} |
{"P": 1} |
0.14 | {"O": 3, "N": 3, "P": 3} |
0.60 | +0.46 | v2 | сравнить 3D |
| #841 | C3 | Ru(2) | {"N": 2, "O": 2} |
{"N": 3} |
0.40 | {"N": 6} |
0.86 | +0.46 | v2 | сравнить 3D |
| #200 | 2 | Ru(2) | {"P": 2} |
{"P": 2} |
1.00 | {"P": 5, "N": 4} |
0.55 | -0.45 | v1 | сравнить 3D |
| #723 | 1 | Ru(2) | {"O": 1, "P": 1} |
{"N": 2} |
0.00 | {"N": 7, "O": 3, "P": 1} |
0.45 | +0.45 | v2 | сравнить 3D |
| #710 | 2a/2b | Ru(2) | {"P": 2, "S": 1} |
{"S": 1} |
0.33 | {"P": 3, "S": 2, "N": 4} |
0.78 | +0.44 | v2 | сравнить 3D |
| #4 | 1b | Ru(2) | {"N": 1, "P": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #5 | 1c | Ru(2) | {"N": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #6 | 1e | Ru(2) | {"N": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #8 | 2b | Ru(2) | {"N": 1, "P": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #9 | 2c | Ru(2) | {"N": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #10 | 2e | Ru(2) | {"N": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #11 | 3 | Ru(2) | {"N": 1, "P": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #12 | 4 | Ru(2) | {"N": 1, "P": 1} |
|
0.00 | {"P": 5, "N": 3} |
0.44 | +0.44 | v2 | сравнить 3D |
| #33 | RAPTA-BC,6 | Ru(2) | {"N": 1} |
{"P": 1} |
0.00 | {"P": 2, "O": 5} |
0.44 | +0.44 | v2 | сравнить 3D |
| #479 | 3,Ru | Ru(2) | {"O": 3, "N": 3} |
{"N": 4} |
0.43 | {"N": 10} |
0.00 | -0.43 | v1 | сравнить 3D |
| #486 | Ru2 | Ru(2) | {"F": 2, "N": 5} |
{"N": 3} |
0.43 | {"N": 6} |
0.00 | -0.43 | v1 | сравнить 3D |
| #784 | Ru1 | Ru(2) | {"O": 2, "N": 5} |
{"N": 3} |
0.43 | {"N": 4} |
0.00 | -0.43 | v1 | сравнить 3D |
| #3027 | 10 | Ru(0) | {"O": 1} |
{"N": 2} |
0.00 | {"N": 11, "S": 2} |
0.43 | +0.43 | v2 | сравнить 3D |
| #806 | 6c | Ru(2) | {"S": 2, "O": 1, "N": 1} |
{"N": 3} |
0.17 | {"S": 6, "N": 6} |
0.58 | +0.42 | v2 | сравнить 3D |
| #85 | [Ru(DIP)2(mor)](OTf) | Ru(2) | {"O": 6} |
{"N": 4} |
0.00 | {"O": 6, "N": 6} |
0.42 | +0.42 | v2 | сравнить 3D |
| #143 | 3 | Ru(2) | {"N": 1} |
{"N": 3} |
0.33 | {"N": 6} |
0.75 | +0.42 | v2 | сравнить 3D |
| #293 | RUNAT-BI | Ru(2) | {"Cl": 2, "N": 4} |
{"N": 2} |
0.33 | {"N": 6} |
0.75 | +0.42 | v2 | сравнить 3D |
| #337 | Ru3 | Ru(2) | {"O": 3} |
{"N": 1} |
0.00 | {"O": 6, "N": 6} |
0.42 | +0.42 | v2 | сравнить 3D |
| #381 | 2 | Ru(2) | {"O": 3, "P": 1} |
C:6(eta) |
0.00 | {"O": 6, "P": 4, "N": 2} |
0.42 | +0.42 | v2 | сравнить 3D |
| #582 | 1 | Ru(2) | {"N": 1} |
{"N": 3} |
0.33 | {"N": 8} |
0.75 | +0.42 | v2 | сравнить 3D |
| #736 | RCT | Ru(2) | {"S": 1, "P": 1} |
{"N": 2} |
0.00 | {"N": 7, "S": 3, "P": 1} |
0.42 | +0.42 | v2 | сравнить 3D |
| #771 | (1) | Ru(2) | {"N": 1, "P": 1} |
|
0.00 | {"N": 10, "P": 2} |
0.42 | +0.42 | v2 | сравнить 3D |
| #830 | Complex 2 | Ru(2) | {"O": 4} |
{"N": 1} |
0.00 | {"O": 6, "N": 6} |
0.42 | +0.42 | v2 | сравнить 3D |
| #231 | 4,6,3 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #233 | 6 | Ru(2) | {"N": 8} |
{"N": 2} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #234 | 7 | Ru(2) | {"N": 8} |
{"N": 2} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #313 | 3 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 9} |
0.67 | +0.42 | v2 | сравнить 3D |
| #385 | Ru(II)-4 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #556 | Ru3 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #649 | 1 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 12} |
0.67 | +0.42 | v2 | сравнить 3D |
| #3671 | RuphenBiHim | Ru(0) | {"N": 2} |
{"N": 2} |
1.00 | {"N": 12} |
0.58 | -0.42 | v1 | сравнить 3D |