Question for someone with knowledge of (computational?) chemistry: is MIT's Reaction Mechanism Generator[1] software (and associated database[2]) a step in this direction?
[1] - https://reactionmechanismgenerator.github.io/RMG-Py/index.ht...
[1] - https://reactionmechanismgenerator.github.io/RMG-Py/index.ht...
RMG predicts likely reactions based on chemical kinetics, which might also make a useful database itself - or link to the experimental one, of course.