Computational Chemistry

MolGrapher: Graph-based Chemical Recognition

A graph-based deep learning approach for optical chemical structure recognition that outperforms image captioning …

Computational Chemistry

MolMole: Unified Vision Pipeline for Molecule Mining

A vision-based deep learning framework that unifies molecule detection, reaction parsing, and OCSR for page-level …

Computational Chemistry

MolScribe: Image-to-Graph Molecular Recognition

Image-to-graph generation model for OCSR that predicts atoms, bonds, and coordinates jointly to better handle …

Computational Chemistry

OCSU: Optical Chemical Structure Understanding

OCSU task for translating molecular images into multi-level descriptions. Introduces Vis-CheBI20 dataset and …

Computational Chemistry

ABC-Net: Divide-and-Conquer SMILES Recognition

Deep learning OCSR model using keypoint estimation to detect atom and bond centers for graph-based molecular structure …

Computational Chemistry

Handwritten Chemical Structure Recognition with RCGD

An end-to-end framework (RCGD) and unambiguous markup language (SSML) for recognizing complex handwritten chemical …

Computational Chemistry

MolMiner: Deep Learning OCSR with YOLOv5 Detection

Deep learning OCSR tool using YOLOv5 and MobileNetV2 to extract machine-readable molecular structures from scientific …

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

Review of OCSR Tools (2020)

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

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.

Computational Chemistry

CLEF-IP 2012 Benchmark Overview

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