Expanding the available chemical modifications and allowing the user to select which site to conduct the change at would be useful for translation of targeted peptide-drug libraries into SMILES strings. This would provide users the ability to leverage chemical language models once translated. This would provide an alternative to requiring the user to generate a molfile, if such tooling does not exist or is difficult to use.
Goals:
- Add method to indicate where to N-methylate or PEGylate.
- Add beta amino acid modification.
- Other modifications to include:
- Phosphorylation
- Glycosylation
- Acetylation
- Methylation
- Hydroxylation
- Ubiquitination
- Sulfation
Expanding the available chemical modifications and allowing the user to select which site to conduct the change at would be useful for translation of targeted peptide-drug libraries into SMILES strings. This would provide users the ability to leverage chemical language models once translated. This would provide an alternative to requiring the user to generate a molfile, if such tooling does not exist or is difficult to use.
Goals: