Cheminformatics - Page 8

RInChI extends InChI to create unique, machine-readable identifiers for chemical reactions and database searching.

The 2020 paper introducing SELFIES, the 100% robust molecular representation that solves SMILES validity problems in ML …

Weininger's 1988 paper introducing SMILES notation, the string-based molecular representation that revolutionized …

GTR-CoT uses graph traversal chain-of-thought reasoning to improve optical chemical structure recognition accuracy.

MolRec achieves 95%+ accuracy on simple structures but struggles with complex diagrams, revealing rule-based OCSR limits …

Rule-based system for optical chemical structure recognition using vectorization and geometric analysis, achieving 95% …

Novel OCSR method creating molecular fingerprints from images through functional group segmentation for database …

A micro-review of Optical Chemical Structure Recognition (OCSR), covering rule-based systems to modern deep learning …

αExtractor uses ResNet-Transformer to extract chemical structures from literature images, including noisy and hand-drawn …

Fujiyoshi et al.'s segment-based approach for recognizing chemical structures in challenging Japanese patent images with …

Dual-stream encoder combining ConvNext and ViT for robust optical chemical structure recognition across diverse …

MolParser-7M is the largest OCSR dataset with 7.7M image-text pairs of molecules and E-SMILES, including 400k real-world …