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 …...

Document Processing
A colored molecule with annotations, representing the diverse drawing styles found in scientific papers that OCSR models must handle.

MolParser-7M and WildMol Datasets for Robust Chemical Structure Recognition

MolParser-7M is a 7.7M-pair dataset for molecule-to-text conversion, featuring real-world images and complex structures …

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 …...

Deep Learning

3D Steerable CNNs: Learning Rotationally Equivariant Features in Volumetric Data

Weiler et al.'s NeurIPS 2018 paper introducing SE(3)-equivariant CNNs for volumetric data using group theory and …...

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....