Computational Chemistry

HMM-based Online Recognition of Chemical Symbols

Online recognition of handwritten chemical symbols using Hidden Markov Models with 11-dimensional local features, …

Computational Chemistry
Optical chemical structure recognition example

Img2Mol: Accurate SMILES from Molecular Depictions

Two-stage CNN approach for converting molecular images to SMILES using CDDD embeddings and extensive data augmentation.

Computational Chemistry

On-line Handwritten Chemical Expression Recognition

Two-level algorithm for recognizing on-line handwritten chemical expressions using structural analysis, ANNs, and string …

Computational Chemistry

Online Handwritten Chemical Formula Structure Analysis

A hierarchical grammar-based approach for recognizing and analyzing online handwritten chemical formulas in mobile …

Computational Chemistry

Recognition of On-line Handwritten Chemical Expressions

A two-level recognition algorithm for on-line handwritten chemical expressions using structural and syntactic features.

Computational Chemistry

Review of OCSR Tools (2020)

Comprehensive review and benchmarking of 30 years of Optical Chemical Structure Recognition (OCSR) methods and tools.

Computational Chemistry

SVM-HMM Online Classifier for Chemical Symbols

A dual-stage classifier combining SVM and HMM to recognize online handwritten chemical symbols, introducing a reordering …

Computational Chemistry
Unified framework converts handwritten chemical expressions to structured graph representations

Unified Framework for Handwritten Chemical Expressions

A 2009 unified framework for inorganic/organic chemical handwriting recognition using graph search and statistical …

Computational Chemistry
Chemical Structure Reconstruction with chemoCR

Chemical Structure Reconstruction with chemoCR

A hybrid system combining pattern recognition and rule-based expert systems to reconstruct chemical structures from …

Computational Chemistry
ChemReader at TREC 2011 Chemical IR Track

ChemReader at TREC 2011 Chemical IR Track

ChemReader OCR software evaluation on TREC 2011 Chemical IR campaign achieving 93% accuracy on image-to-structure task.

Computational Chemistry
CLEF-IP 2012 Benchmark Overview

CLEF-IP 2012 Benchmark Overview

Overview of the CLEF-IP 2012 benchmarking lab focusing on patent passage retrieval, flowchart recognition, and chemical …

Computational Chemistry

MolRec at CLEF 2012

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