Chemical Literature Data Extraction: The CLiDE Project
Seminal OCSR system converting scanned chemical diagrams into connection tables via primitive recognition and semantic …
Optical Chemical Structure Recognition
Notes on methods for extracting molecular structures from images. Covers OCR-based, deep learning, and vision-language model approaches.
Chemical Machine Vision
Machine vision approach using Gabor wavelets and Kohonen networks to classify chemical raster images and extract …
ChemReader: Automated Structure Extraction
ChemReader extracts chemical structures from raster images using modified Hough transform and chemical spell checking …
Graph Perception for Chemical Structure OCR
A 1990 methodological paper presenting an early OCR system for digitizing chemical structure images into connectivity …
Hand Drawn Chemical Diagram Recognition
A sketch recognition system for organic chemistry that uses domain knowledge (chemical valence) to correct recognition …
IMG2SMI: Translating Molecular Structure Images to SMILES
Campos & Ji's method for converting 2D molecular images to SMILES strings using Transformers and SELFIES representation.
Kekulé: OCR-Optical Chemical Recognition
A seminal 1992 system for Optical Chemical Structure Recognition (OCSR) using neural networks and heuristic graph …
OCSR Methods: A Taxonomy of Approaches
Overview of optical chemical structure recognition methods organized by approach, from deep learning to rule-based …
Optical Recognition of Chemical Graphics
A 1993 prototype system for converting scanned chemical diagrams into connection tables using vectorization and …
OSRA: Open Source Optical Structure Recognition
The first open-source optical structure recognition (OSR) utility for converting chemical images into SMILES/SD formats.
Reconstruction of Chemical Molecules from Images
A 5-module system converting raster images of chemical structures into machine-readable SDF files with custom …
GTR-CoT: Graph Traversal Chain-of-Thought for Molecules
GTR-CoT uses graph traversal chain-of-thought reasoning to improve optical chemical structure recognition accuracy.