| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #696 | QY3 | Ru(2) | {"O": 3} |
C:6(eta) |
0.00 | {"N": 3, "S": 3} |
0.00 | +0.00 | = | сравнить 3D |
| #697 | QY4 | Ru(2) | {"O": 3} |
C:6(eta) |
0.00 | {"O": 3, "S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #706 | 2 | Ru(2) | {"O": 4} |
{"N": 2} |
0.00 | {"O": 6, "N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #707 | 3 | Ru(2) | {"O": 4} |
{"N": 3} |
0.00 | {"O": 6, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #708 | Ru-2 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 6} |
0.00 | +0.00 | = | сравнить 3D |
| #715 | Ru1 | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #716 | Ru3 | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #717 | Ru5 | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #722 | 3 | Ru(2) | {"O": 5} |
{"N": 1} |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #724 | 4 | Ru(2) | {"O": 1, "P": 1} |
{"N": 2} |
0.00 | {"N": 4, "P": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #728 | Complex 4 | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #739 | GRPA | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 6} |
0.00 | +0.00 | = | сравнить 3D |
| #740 | GRBA | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 6} |
0.00 | +0.00 | = | сравнить 3D |
| #744 | 1 | Ru(2) | {"Cl": 2} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #745 | 2 | Ru(2) | {"O": 4} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #746 | 3 | Ru(2) | {"O": 4} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #747 | 4 | Ru(2) | {"O": 4} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #748 | 5 | Ru(2) | {"O": 4} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #750 | 7 | Ru(2) | {"O": 8} |
{"O": 2} |
0.00 | {"O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #751 | 8 | Ru(2) | {"O": 4} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #752 | 9 | Ru(2) | {"O": 4} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #753 | 1a,1b | Ru(2) | {"Cl": 1} |
{"N": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #754 | 2a,2b | Ru(2) | {"Cl": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #755 | complex 1 | Ru(2) | {"Cl": 1} |
{"N": 1} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #763 | 7 | Ru(2) | {"Cl": 2} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #765 | RuL1 | Ru(2) | {"N": 1} |
{"O": 1, "S": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #767 | RuL3 | Ru(2) | {"N": 1} |
{"S": 1, "O": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #768 | RuL4 | Ru(2) | {"O": 1, "N": 3} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #777 | Ru3 | Ru(2) | {"N": 2} |
{"N": 4} |
0.50 | {"N": 12} |
0.50 | +0.00 | = | сравнить 3D |
| #789 | aL1 | Ru(2) | {"S": 2, "O": 2, "N": 1} |
C:6(eta) |
0.00 | {"S": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #790 | aL2 | Ru(2) | {"S": 1, "O": 2, "N": 1} |
C:6(eta) |
0.00 | {"S": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #793 | MPD1 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #794 | MPD2 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 6, "O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #805 | 6b | Ru(2) | {"S": 2, "O": 1, "N": 1} |
{"S": 1, "N": 1} |
0.50 | {"S": 6, "N": 6} |
0.50 | +0.00 | = | сравнить 3D |
| #810 | Complex-10 | Ru(2) | {"N": 2, "O": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #815 | 1 | Ru(2) | {"N": 2} |
{"P": 1} |
0.00 | {"P": 5} |
0.00 | +0.00 | = | сравнить 3D |
| #816 | 2 | Ru(2) | {"N": 2} |
{"P": 1} |
0.00 | {"P": 5} |
0.00 | +0.00 | = | сравнить 3D |
| #817 | 3 | Ru(2) | {"N": 1} |
{"P": 1} |
0.00 | {"P": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #818 | 6 | Ru(2) | {"N": 1} |
{"P": 1} |
0.00 | {"P": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #819 | 7,1 | Ru(2) | {"N": 1, "O": 4} |
{"P": 1} |
0.00 | {"P": 3, "O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #820 | 8 | Ru(2) | {"N": 1, "O": 6} |
{"P": 1} |
0.00 | {"P": 3, "O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #821 | 9 | Ru(2) | {"P": 1} |
C:6(eta) |
0.00 | {"P": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #822 | 10 | Ru(2) | {"N": 1, "P": 1} |
C:6(eta) |
0.00 | {"P": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #823 | 11Cl,11NO3,11BF4,11OTf,11PF6,11SbF6,11BPh4 | Ru(2) | {"P": 2} |
C:6(eta) |
0.00 | {"P": 3} |
0.00 | +0.00 | = | сравнить 3D |
| #836 | K2 | Ru(2) | {"N": 2} |
{"N": 2} |
1.00 | {"N": 5} |
1.00 | +0.00 | = | сравнить 3D |
| #838 | Complex 1 | Ru(2) | {"O": 3, "S": 1} |
C:6(eta) |
0.00 | {"O": 1, "N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #839 | C1 | Ru(3) | {"N": 2, "O": 2} |
{"O": 1, "N": 2} |
0.75 | {"O": 1, "N": 2} |
0.75 | +0.00 | = | сравнить 3D |
| #849 | 4 | Ru(2) | {"P": 1} |
C:6(eta) |
0.00 | {"N": 6, "P": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #852 | Ru1 | Ru(2) | {"N": 1} |
{"N": 2} |
0.50 | {"N": 12} |
0.50 | +0.00 | = | сравнить 3D |
| #853 | Ru2 | Ru(2) | {"N": 1} |
{"N": 2} |
0.50 | {"N": 12} |
0.50 | +0.00 | = | сравнить 3D |