Optical Chemical Structure Recognition

Online Handwritten Chemical Formula Structure Analysis

A three-level grammatical framework (formula, molecule, text) for parsing online handwritten chemical formulas, generating semantic graphs that capture both connectivity and layout using context-free grammars and HMMs.

Optical Chemical Structure Recognition
Diagram showing MolNexTR's dual-stream architecture: a molecular image feeds into parallel ConvNext and Vision Transformer encoders, producing a SMILES string.

MolNexTR: A Dual-Stream Molecular Image Recognition

MolNexTR proposes a dual-stream architecture combining ConvNext and Vision Transformers to improve molecular image recognition (OCSR). It achieves 81-97% accuracy across diverse benchmarks utilizing simultaneous local and global feature extraction alongside specialized image contamination augmentations.

Molecular Representations
Log-scale plot showing exponential growth of alkane isomer counts from C1 to C40

The Number of Isomeric Hydrocarbons of the Methane Series

A foundational 1931 paper that derives exact recursive formulas for counting alkane structural isomers, correcting historical errors and establishing the first systematic enumeration up to C₄₀.