poli.objective_repository.sa_tdc.isolated_function

poli.objective_repository.sa_tdc.isolated_function#

Implements a synthetic-accessibility objective using the TDC oracles [1].

References

[1] Artificial intelligence foundation for therapeutic science.: Huang, K., Fu, T., Gao, W. et al. Nat Chem Biol 18, 1033-1036 (2022). https://doi.org/10.1038/s41589-022-01131-2

Classes

SAIsolatedLogic([from_smiles])

Synthetic-accessibility black box implementation using the TDC oracles [1].