InChI and Tautomerism: Toward a Comprehensive Treatment
Dhaked et al.'s comprehensive analysis of tautomerism in chemoinformatics, introducing 86 new tautomeric rules and their …...
Dhaked et al.'s comprehensive analysis of tautomerism in chemoinformatics, introducing 86 new tautomeric rules and their …...
Heller et al. (2013) explain how IUPAC's InChI became the global standard for representing chemical structures, its …...
The InChI v1.07 release modernizes chemical identifiers for FAIR data principles, fixes thousands of bugs, and proposes …...
Clark et al.'s Mixfile format and MInChI specification provide the first standardized, machine-readable way to represent …...
Lynch et al. propose NInChI (Nanomaterials InChI) - a standardized notation system for representing complex …
An overview of the major updates to the SELFIES Python library, including improved performance, expanded chemical …...
RInChI extends the InChI standard to create unique, machine-readable identifiers for chemical reactions, enabling …...
A summary of the foundational 2020 paper that introduced SELFIES - the 100% robust molecular string representation …
A summary of David Weininger's foundational 1988 paper that introduced SMILES notation - the string-based molecular …
Wang et al.'s novel VLM approach using graph traversal CoT and faithful recognition principles to improve optical …...
Sadawi et al.'s enhanced MolRec system achieving 95%+ accuracy on simple structures but struggling with complex …...
Sadawi et al.'s analysis of MolRec's performance on chemical structure recognition, achieving 95% accuracy on 1000 …...