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- Node labels: [symbol]
-
- Node attributes: [chem, charge, x, y]
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- Edge labels: [valence]
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- Node labels were converted to integer values using this map:
-
- Component 0:
- 0 C
- 1 O
- 2 N
- 3 Cl
- 4 F
- 5 S
- 6 Se
- 7 P
- 8 Na
- 9 I
- 10 Co
- 11 Br
- 12 Li
- 13 Si
- 14 Mg
- 15 Cu
- 16 As
- 17 B
- 18 Pt
- 19 Ru
- 20 K
- 21 Pd
- 22 Au
- 23 Te
- 24 W
- 25 Rh
- 26 Zn
- 27 Bi
- 28 Pb
- 29 Ge
- 30 Sb
- 31 Sn
- 32 Ga
- 33 Hg
- 34 Ho
- 35 Tl
- 36 Ni
- 37 Tb
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-
-
- Edge labels were converted to integer values using this map:
-
- Component 0:
- 0 1
- 1 2
- 2 3
-
-
-
- Class labels were converted to integer values using this map:
-
- 0 a
- 1 i
-
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