Table 1 Strings of SMILES generated as a canvas rewriting process
From: Probabilistic generative transformer language models for generative design of molecules
Canvas rewriting with 4 actions: (E, _E, E_, _E_) | ||
|---|---|---|
Step t | Action | operation |
0. $1 | _E_ | Replace $1 blank with _C_ |
1. $1 C $2 | E | Replace $1 blank with C |
2. C C $1 | E_ | Replace $1 blank with (_ |
3. C C ( $1 | _E_ | Replace $1 blank with _O_ |
4. C C ( $1 O $2 | _E | Replace $1 blank with = |
5. C C ( = O $1 | E_ | Replace $1 blank with )_ |
6. C C ( = O ) $1 | E | Replace $1 blank with C |
7. C C ( = O ) C | ||