homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#3305 58 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3306 59,1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3307 60 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3308 61 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3309 62 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3310 63 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3314 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3315 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3316 3b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3317 3c Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3318 3d Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3319 3e Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3320 3f Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3321 3g Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3322 4 Ru(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3325 3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3326 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#3327 2a Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3328 2b Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3329 2c Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3330 2d Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3331 2e Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3332 Neutral Ru(II) 6a Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3333 Neutral Ru(II) 6b Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3334 Neutral Ru(II) 6c Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3335 Neutral Ru(II) 6d Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3336 Neutral Ru(II) 6e Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3337 Ionic Ru(II) 7a Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3338 Ionic Ru(II) 7b Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3339 Ionic Ru(II) 7c Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#3340 Ionic Ru(II) 7d Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3341 Ionic Ru(II) 7e Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#3350 9 Ru(2) — 0 candidates
GT: {"O": 3, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3356 15 Ru(2) — 0 candidates
GT: {"O": 4, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3357 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#3358 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#3365 6a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3366 6b Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3367 6c Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#3372 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3373 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3374 5 Ru(2) — 3 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3375 6 Ru(2) — 0 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3383 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.00
Candidates → Complex detail MOL 3D Viewer
#3385 6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11}
0.00
Candidates → Complex detail MOL 3D Viewer
#3390 K1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3392 K3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3393 K4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3394 K5 Ru(2) — 4 candidates
GT: {"N": 6} Pred: {"N": 7}
0.00
Candidates → Complex detail MOL 3D Viewer
#3396 1 Ru(2) — 2 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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