InChI and Tautomerism: Toward a Comprehensive Treatment
Dhaked et al.'s comprehensive analysis of tautomerism in chemoinformatics, introducing 86 new tautomeric rules and their …...
Chemical-Structure
InChI: The Worldwide Chemical Structure Identifier Standard
Heller et al. (2013) explain how IUPAC's InChI became the global standard for representing chemical structures, its …...
Recent Advances in the SELFIES Library (2023)
An overview of the major updates to the SELFIES Python library, including improved performance, expanded chemical …...
SELFIES (Self-Referencing Embedded Strings)
SELFIES is a 100% robust string-based representation for chemical molecules, designed for machine learning applications …...
SMILES (Simplified Molecular Input Line Entry System)
SMILES is a specification for describing the structure of chemical molecules using short ASCII strings....