Computational Chemistry - Page 10

Rule-based system for optical chemical structure recognition using vectorization and geometric analysis, achieving 95% …

Novel OCSR method creating molecular fingerprints from images through functional group segmentation for database …

A micro-review of Optical Chemical Structure Recognition (OCSR), covering rule-based systems to modern deep learning …

αExtractor uses ResNet-Transformer to extract chemical structures from literature images, including noisy and hand-drawn …

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

Dual-stream encoder combining ConvNext and ViT for robust optical chemical structure recognition across diverse …

MolParser-7M is the largest OCSR dataset with 7.7M image-text pairs of molecules and E-SMILES, including 400k real-world …

MolParser converts molecular images from scientific documents to machine-readable formats using end-to-end learning with …

ZINC-22 dataset provides 37+ billion make-on-demand molecules for virtual screening and modern drug discovery.

Create 2D molecular images from SELFIES strings using RDKit, SELFIES, and PIL, with proper formatting and legends.

Create 2D molecular images from SMILES strings using RDKit and PIL, with proper formatting and legends.

SELFIES is a 100% robust molecular string representation for ML, implemented in the open-source selfies Python library.