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Table 5 Tinkering design based on GMTransformer suggests Br and Cl as replacements for F element

From: Probabilistic generative transformer language models for generative design of molecules

Substitution token

Probability

Action

Br

0.427

0

F

0.297

0

Cl

0.25

0

O

0.019

0

C

0.002

1

S

0.001

1

O

0.001

2

N

0

0

#

0

3

-

0

1

  1. The template string is “O = C ( N C c 1 c c c s 1 ) N c 1 c c c ( <mask> ) c c 1”