No. | Description | No. of bits | Form |
---|---|---|---|
1 | One hot encoding of the atom type | 1-43 | Binary |
2 | One hot encoding of the atom degree | 44-54 | Binary |
3 | One hot encoding of the number of implicit Hs on the atom | 55-61 | Binary |
4 | Formal charge of the atom | 62 | Numerical |
5 | Number of radical electrons of the atom | 63 | Numerical |
6 | One hot encoding of the atom hybridization | 64-68 | Binary |
7 | Whether the atom is aromatic | 69 | Numerical |
8 | One hot encoding of the number of total Hs on the atom | 70-74 | Binary |