Smiles

Dhaked et al.'s comprehensive analysis of tautomerism in chemoinformatics, introducing 86 new tautomeric rules and their …...

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 …...

Xiong et al.'s deep learning system for extracting chemical structures from literature images using ResNet-Transformer …...

Clevert et al.'s two-stage CNN approach for converting molecular images to SMILES using CDDD embeddings and extensive …...

Chen et al.'s dual-stream encoder approach for robust molecular structure recognition from diverse real-world images …...

Filippov & Nicklaus's open-source rule-based system for converting molecular structure images into machine-readable …...

Fang et al.'s method for converting molecular structure images from scientific documents into machine-readable formats …...

A dataset card for ZINC-22, the largest freely available database of commercially available compounds for virtual …

Learn how to create 2D molecular images from SMILES strings using RDKit and PIL, with proper formatting and legends.

SMILES is a specification for describing the structure of chemical molecules using short ASCII strings....

A dataset card for the Generated Database 11 (GDB-11), a database of 26.4 million small organic molecules for virtual …