Computational Chemistry

SwinOCSR: Vision Transformers for Chemical OCR

Deep learning model using Swin Transformer and Focal Loss for OCSR, achieving 98.58% accuracy on synthetic benchmarks.

Computational Chemistry
ChemGrapher pipeline overview showing segmentation and classification stages

ChemGrapher: Deep Learning for Chemical OCR

Deep learning OCSR method using semantic segmentation and classification CNNs to reconstruct chemical graphs with …

Computational Chemistry
DECIMER: Deep Learning for Chemical Image Recognition

DECIMER: Deep Learning for Chemical Image Recognition

Deep learning method for optical chemical structure recognition using image captioning networks trained on millions of …

Computational Chemistry

Deep Learning for Molecular Structure Extraction

An end-to-end deep learning approach using U-Net and CNN-LSTM to segment and predict chemical structures from document …

Computational Chemistry
Handwritten chemical ring recognition neural network architecture

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.