| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #541 | 3 | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #542 | 4 | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #553 | Compound 7 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #561 | H1 | Ru(2) | {"O": 1, "S": 1} |
C:6(eta) |
0.00 | {"O": 2, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #562 | H2 | Ru(2) | {"O": 1, "S": 1} |
C:6(eta) |
0.00 | {"O": 2, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #563 | H3 | Ru(2) | {"O": 1, "S": 1} |
C:6(eta) |
0.00 | {"O": 2, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #564 | N1 | Ru(2) | {"O": 1, "S": 1} |
{"N": 1} |
0.00 | {"O": 3, "S": 3, "N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #566 | P1 | Ru(2) | {"N": 1, "O": 1, "S": 1} |
{"P": 1} |
0.00 | {"P": 3, "O": 2, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #569 | P3 | Ru(2) | {"N": 1, "O": 1, "S": 1} |
{"P": 1} |
0.00 | {"P": 3, "O": 2, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #570 | Complex 1 | Ru(2) | {"O": 1, "N": 2} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #577 | Ru2,Ru4 | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #579 | Ru6 | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #580 | Ru7 | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #585 | CPI-Ru | Ru(2) | {"O": 1} |
{"N": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #586 | Ru1 | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"O": 3, "N": 7} |
0.00 | +0.00 | = | сравнить 3D |
| #587 | Ru2 | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"O": 3, "N": 7} |
0.00 | +0.00 | = | сравнить 3D |
| #610 | RUSCO-1 | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"O": 1, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #611 | RUSCO-2 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #612 | RUSCO-3 | Ru(2) | {"O": 1} |
{"N": 1} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #613 | RUSCO-4 | Ru(2) | {"O": 1} |
{"N": 3} |
0.00 | {"N": 6} |
0.00 | +0.00 | = | сравнить 3D |
| #614 | RUSCO-5 | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"N": 6} |
0.00 | +0.00 | = | сравнить 3D |
| #615 | UNICAM-1 | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #618 | RT152 | Ru(2) | {"O": 5, "N": 3, "P": 1} |
C:6(eta) |
0.00 | {"S": 6, "N": 6, "P": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #619 | PMC79,Ru1 | Ru(2) | {"P": 1} |
{"N": 2} |
0.00 | {"N": 6, "P": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #621 | RuCH | Ru(2) | {"N": 2, "O": 4} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #622 | RuBCH | Ru(2) | {"N": 2, "O": 4} |
C:6(eta) |
0.00 | {"O": 4, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #629 | Ru2 | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #633 | Ru-TPE-OH | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #634 | Ru-TPE-PPh3 | Ru(2) | {"P": 1} |
{"N": 2} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #654 | 1 | Ru(2) | {"N": 1, "Cl": 2} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #655 | 2 | Ru(2) | {"N": 2, "Cl": 2} |
{"P": 2} |
0.00 | {"P": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #658 | 1 | Ru(2) | {"Cl": 2} |
{"N": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #659 | 2 | Ru(2) | {"Cl": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #660 | 3 | Ru(2) | {"Cl": 2} |
{"N": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #661 | Complex A | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 11} |
0.00 | +0.00 | = | сравнить 3D |
| #668 | α-13 | Ru(2) | {"O": 4} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #673 | 16 | Ru(2) | {"O": 7, "N": 4} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #675 | 4a | Ru(2) | {"O": 1, "N": 1} |
{"N": 1} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #676 | 4b | Ru(2) | {"O": 1, "N": 1} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #678 | 4d | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #680 | 5b | Ru(2) | {"S": 3, "O": 1} |
{"N": 1} |
0.00 | {"S": 7} |
0.00 | +0.00 | = | сравнить 3D |
| #685 | 7 | Ru(2) | {"N": 1} |
{"N": 1} |
0.00 | {"N": 9} |
0.00 | +0.00 | = | сравнить 3D |
| #686 | 2aRu | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #687 | 2bRu | Ru(2) | {"O": 2} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #688 | 2cRu | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #689 | 2dRu | Ru(2) | {"O": 1} |
{"N": 2} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #690 | 2eRu | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #691 | 2fRu | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #692 | 3a | Ru(2) | {"Cl": 2} |
{"O": 2, "P": 1} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #693 | 3b | Ru(2) | {"Cl": 2} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |