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
#2256 2f Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2257 2g Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"S": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2258 1 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2259 2 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2260 3 Ru(2) — 2 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2261 1 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2262 4 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2263 5 Ru(2) — 2 candidates
GT: {"P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2264 6 Ru(2) — 2 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2265 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2266 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2267 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2268 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2269 8 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2270 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2274 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2275 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 2, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2276 3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2277 4 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2278 5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2279 6 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2280 7 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2281 8 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2282 15,39 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2283 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2284 4 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2289 5 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2290 6 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2291 1 Ru(2) — 4 candidates
GT: {"N": 2, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2292 2 Ru(2) — 4 candidates
GT: {"N": 2, "P": 2} Pred: {"N": 6, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2293 3 Ru(2) — 4 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 4, "P": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#2294 4 Ru(2) — 3 candidates
GT: {"N": 1, "P": 2} Pred: {"N": 3, "P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2296 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2297 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2298 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2303 3a Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2304 3c Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2305 3d Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2306 3e Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#2307 4a Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#2308 4b Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#2309 R1 Ru(2) — 2 candidates
GT: {"P": 2} Pred: {"P": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2310 R3 Ru(2) — 2 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2311 R6 Ru(2) — 2 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2312 R7 Ru(2) — 2 candidates
GT: {"P": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#2317 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#2318 1,5 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2319 2 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#2320 3 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#2321 5 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
«‹ 67686970717273747576 ›» 72/142 (7058 total)