| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #764 | Complex (1) | Ru(2) | {"Cl": 1, "N": 4} |
{"N": 2} |
0.40 | {"N": 12} |
0.67 | +0.27 | v2 | сравнить 3D |
| #882 | Complex 2 | Ru(2) | {"O": 1, "P": 2} |
{"P": 2} |
0.67 | {"O": 3, "P": 3} |
0.40 | -0.27 | v1 | сравнить 3D |
| #742 | 2 | Ru(2) | {"O": 1, "N": 1} |
{"S": 1, "O": 1} |
0.33 | {"O": 3, "N": 9} |
0.58 | +0.25 | v2 | сравнить 3D |
| #743 | 3 | Ru(2) | {"O": 1, "N": 1} |
{"N": 2} |
0.33 | {"N": 9, "O": 3} |
0.58 | +0.25 | v2 | сравнить 3D |
| #21 | 7 | Ru(2) | {"O": 2, "S": 1} |
{"P": 1, "O": 1} |
0.25 | {"P": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #22 | 8 | Ru(2) | {"O": 2, "S": 1} |
{"P": 1, "O": 1} |
0.25 | {"O": 1, "P": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #45 | 1,2 | Ru(2) | {"N": 4} |
{"N": 1} |
0.25 | {"N": 5} |
0.00 | -0.25 | v1 | сравнить 3D |
| #266 | Complex 3 | Ru(2) | {"O": 1, "S": 1, "N": 1, "P": 1} |
{"N": 1} |
0.25 | {"O": 3, "S": 3, "N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #268 | Complex 5 | Ru(2) | {"O": 1, "S": 1, "N": 1, "P": 1} |
{"O": 1} |
0.25 | {"O": 3, "S": 3, "N": 4, "P": 1} |
0.50 | +0.25 | v2 | сравнить 3D |
| #269 | Complex 6 | Ru(2) | {"O": 1, "S": 1, "N": 1, "P": 1} |
{"N": 1} |
0.25 | {"O": 3, "S": 3, "N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #272 | 5[NO3] | Ru(2) | {"O": 2, "N": 1} |
{"N": 2} |
0.25 | {"N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #308 | Ru-IM (1),Ru-IM | Ru(2) | {"O": 1, "N": 1, "P": 1} |
{"N": 2} |
0.25 | {"N": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #309 | Ru-IM-BODIPY (3a) | Ru(2) | {"N": 1, "P": 1, "O": 1} |
{"N": 2} |
0.25 | {"O": 2, "N": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #312 | 2 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 12} |
0.50 | +0.25 | v2 | сравнить 3D |
| #314 | RuL1,4h | Ru(2) | {"N": 1, "Cl": 1} |
{"N": 3} |
0.25 | {"N": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #328 | 4i | Ru(2) | {"N": 1, "Cl": 1} |
{"N": 3} |
0.25 | {"N": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #427 | [Ru(C6H6)L3Cl] (6) | Ru(2) | {"O": 2, "N": 1} |
{"N": 2} |
0.25 | {"N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #428 | [Ru(cym)L3Cl] | Ru(2) | {"O": 2, "N": 1} |
{"N": 2} |
0.25 | C:6(eta) |
0.00 | -0.25 | v1 | сравнить 3D |
| #429 | [Ru(C6Me6)L3Cl] (3) | Ru(2) | {"O": 2, "N": 1} |
{"N": 2} |
0.25 | {"O": 1, "N": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #431 | 2 | Ru(2) | {"O": 2, "P": 1} |
{"P": 2} |
0.25 | {"O": 3, "N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #483 | 7,1 | Ru(2) | {"O": 2, "N": 6} |
{"N": 2} |
0.25 | {"N": 12} |
0.50 | +0.25 | v2 | сравнить 3D |
| #538 | 5 | Ru(2) | {"N": 1, "O": 2} |
{"N": 2} |
0.25 | {"N": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #568 | S2 | Ru(2) | {"O": 1, "S": 2, "N": 1} |
{"S": 1} |
0.25 | {"O": 3, "S": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #574 | Complex 9 | Ru(2) | {"O": 2, "N": 2} |
{"O": 1} |
0.25 | {"O": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #575 | Complex 10 | Ru(2) | {"O": 2, "N": 2} |
{"O": 1} |
0.25 | {"O": 1, "N": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #584 | [RuLPTA] | Ru(2) | {"N": 2, "O": 2} |
{"N": 1} |
0.25 | {"P": 3, "N": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #620 | LCR134 | Ru(2) | {"O": 4, "N": 3, "P": 1} |
{"N": 2} |
0.25 | {"S": 6, "N": 6, "P": 1} |
0.00 | -0.25 | v1 | сравнить 3D |
| #636 | Ru2 | Ru(2) | {"O": 2, "N": 1} |
{"N": 2} |
0.25 | {"O": 3, "N": 2} |
0.00 | -0.25 | v1 | сравнить 3D |
| #651 | 3 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 8} |
0.00 | -0.25 | v1 | сравнить 3D |
| #669 | 12 | Ru(2) | {"O": 3} |
{"O": 1, "N": 1} |
0.25 | {"N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #679 | 5a | Ru(2) | {"S": 3, "O": 1} |
{"S": 1} |
0.25 | {"S": 7} |
0.00 | -0.25 | v1 | сравнить 3D |
| #681 | 5c | Ru(2) | {"S": 3, "O": 1} |
{"S": 1} |
0.25 | {"S": 5} |
0.00 | -0.25 | v1 | сравнить 3D |
| #731 | RuβC-8 | Ru(2) | {"N": 1} |
{"N": 4} |
0.25 | {"N": 6} |
0.00 | -0.25 | v1 | сравнить 3D |
| #749 | 6 | Ru(2) | {"O": 8} |
{"O": 2} |
0.25 | C:6(eta) |
0.00 | -0.25 | v1 | сравнить 3D |
| #770 | 3 | Ru(2) | {"N": 1, "S": 1} |
{"S": 1, "N": 1} |
1.00 | {"N": 3, "S": 1} |
0.75 | -0.25 | v1 | сравнить 3D |
| #796 | 2 | Ru(2) | {"O": 2, "N": 6} |
{"N": 2} |
0.25 | {"N": 12} |
0.50 | +0.25 | v2 | сравнить 3D |
| #797 | 3 | Ru(2) | {"O": 2, "N": 6} |
{"N": 2} |
0.25 | {"N": 12} |
0.50 | +0.25 | v2 | сравнить 3D |
| #854 | FOR002 | Ru(2) | {"Cl": 1, "N": 1} |
{"N": 3} |
0.25 | {"N": 10} |
0.00 | -0.25 | v1 | сравнить 3D |
| #4839 | 2b | Ir(3) | {"N": 8} |
{"N": 2} |
0.25 | {"N": 4} |
0.00 | -0.25 | v1 | сравнить 3D |
| #881 | Complex 1 | Ru(2) | {"S": 1, "P": 2} |
{"P": 2} |
0.67 | {"S": 3, "P": 6} |
0.42 | -0.25 | v1 | сравнить 3D |
| #38 | 1b | Ru(2) | {"N": 1, "O": 2} |
{"N": 5} |
0.14 | {"N": 12} |
0.38 | +0.24 | v2 | сравнить 3D |
| #779 | Ru5 | Ru(2) | {"N": 1, "O": 2} |
{"N": 5} |
0.14 | {"N": 12} |
0.38 | +0.24 | v2 | сравнить 3D |
| #330 | Rbtb | Ru(2) | {"N": 5, "O": 1, "S": 1} |
{"N": 3} |
0.43 | {"N": 9} |
0.67 | +0.24 | v2 | сравнить 3D |
| #305 | Ru(BAC) | Ru(2) | {"O": 2, "P": 1} |
{"O": 1} |
0.33 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.22 | v2 | сравнить 3D |
| #307 | Ru(EGA) | Ru(2) | {"O": 5, "P": 1} |
{"O": 2} |
0.33 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.22 | v2 | сравнить 3D |
| #347 | Ru(6) | Ru(2) | {"O": 4, "P": 2} |
{"O": 1, "P": 1} |
0.33 | {"O": 3, "P": 6} |
0.56 | +0.22 | v2 | сравнить 3D |
| #544 | 3 | Ru(2) | {"P": 1} |
{"P": 1} |
1.00 | {"N": 6, "P": 2} |
0.78 | -0.22 | v1 | сравнить 3D |
| #336 | Ru2 | Ru(2) | {"O": 3} |
{"O": 1, "N": 2} |
0.20 | {"O": 6, "N": 6} |
0.42 | +0.22 | v2 | сравнить 3D |
| #380 | 1 | Ru(2) | {"O": 3, "P": 1} |
{"P": 1, "N": 1} |
0.20 | {"O": 6, "N": 4, "P": 2} |
0.42 | +0.22 | v2 | сравнить 3D |
| #475 | Ru3 | Ru(2) | {"O": 4} |
{"O": 3} |
0.75 | {"N": 15} |
0.53 | -0.22 | v1 | сравнить 3D |