Computational Chemistry

Handwritten Chemical Ring Recognition with NNs

A two-phase neural network approach for recognizing handwritten heterocyclic chemical rings with ~94% accuracy.

Computational Chemistry

Handwritten Chemical Symbol Recognition Using SVMs

A hybrid SVM and elastic matching approach for recognizing handwritten chemical symbols drawn on touch devices, …

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 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

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