Computational Chemistry

MolRec at CLEF 2012

Overview and failure analysis of the MolRec rule-based chemical structure recognition system submitted to the CLEF 2012 …

Computational Chemistry

OSRA at CLEF-IP 2012

Evaluation of OSRA on patent data showing native image processing outperforms external tools via pairwise-distance …

Computational Chemistry

Overview of TREC 2011 Chemical IR Track

Overview of the 2011 TREC Chemical IR track, establishing benchmarks for patent prior art, technology surveys, and …

Computational Chemistry

ChemInk: Real-Time Recognition for Chemical Drawings

A sketch recognition framework for chemical diagrams using a joint CRF model to combine multi-level visual features for …

Computational Chemistry

CLiDE Pro: Optical Chemical Structure Recognition Tool

A methodological paper presenting CLiDE Pro, an OCSR system for reconstructing chemical graphs from images with ~90% …

Computational Chemistry

OSRA: Optical Structure Recognition Application

A methodological overview of OSRA, an open-source pipeline for converting chemical structure images into …

Computational Chemistry

Automatic Recognition of Chemical Images

A rule-based system for extracting chemical structure information from raster images, validated against commercial …

Computational Chemistry

ChemReader: Automated Structure Extraction

ChemReader extracts chemical structures from raster images using modified Hough transform and chemical spell checking …

Computational Chemistry

Hand Drawn Chemical Diagram Recognition

A sketch recognition system for organic chemistry that uses domain knowledge (chemical valence) to correct recognition …

Computational Chemistry
Chemical structure diagram for optical recognition

OSRA: Open Source Optical Structure Recognition

The first open-source optical structure recognition (OSR) utility for converting chemical images into SMILES/SD formats.

Computational Chemistry

Reconstruction of Chemical Molecules from Images

A 5-module system converting raster images of chemical structures into machine-readable SDF files with custom …

Computational Chemistry
Chemical structure from journal publication

ChemInfty: Chemical Structure Recognition in Patent Images

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