Computational Chemistry

GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition

Wang et al.'s novel VLM approach using graph traversal CoT and faithful recognition principles to improve optical …...

Computational Chemistry

MolRec: Chemical Structure Recognition at CLEF 2012

Sadawi et al.'s enhanced MolRec system achieving 95%+ accuracy on simple structures but struggling with complex …...

Computational Chemistry

MolRec: Performance Analysis at TREC 2011 Chemical Track

Sadawi et al.'s analysis of MolRec's performance on chemical structure recognition, achieving 95% accuracy on 1000 …...

Computational Chemistry

SubGrapher: Visual Fingerprinting of Chemical Structures

Morin et al.'s method for creating molecular fingerprints directly from images using instance segmentation of functional …...

Computational Chemistry
The transformation from a 2D chemical structure image to a SMILES representation

What is Optical Chemical Structure Recognition (OCSR)?

A micro-review of Optical Chemical Structure Recognition (OCSR), tracing its evolution from rule-based systems to …

Computational Chemistry

αExtractor: Automatic Chemical Information Extraction from Biomedical Literature

Xiong et al.'s deep learning system for extracting chemical structures from literature images using ResNet-Transformer …...

Computational Chemistry

ChemInfty: Robust Segmentation and Recognition of Chemical Structures in Low-Quality Patent Images

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

Computational Chemistry

Img2Mol: Accurate SMILES Recognition from Molecular Graphical Depictions

Clevert et al.'s two-stage CNN approach for converting molecular images to SMILES using CDDD embeddings and extensive …...

Computational Chemistry

MolNexTR: A Generalized Deep Learning Model for Molecular Image Recognition

Chen et al.'s dual-stream encoder approach for robust molecular structure recognition from diverse real-world images …...

Computational Chemistry

OSRA: Optical Structure Recognition for Chemical Information Extraction

Filippov & Nicklaus's open-source rule-based system for converting molecular structure images into machine-readable …...

Computational Chemistry

MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild

Fang et al.'s method for converting molecular structure images from scientific documents into machine-readable formats …...

Computational Chemistry

IMG2SMI: Translating Molecular Structure Images to SMILES

Campos & Ji's method for converting 2D molecular images to SMILES strings using Transformers and SELFIES representation....