Computational Chemistry - Page 7

A methodological overview of OSRA, an open-source pipeline for converting chemical structure images into …

A 1999 methodology for recognizing handwritten chemical structures using a structural graph representation instead of …

A rule-based system for extracting chemical structure information from raster images, validated against commercial …

Seminal OCSR system converting scanned chemical diagrams into connection tables via primitive recognition and semantic …

Machine vision approach using Gabor wavelets and Kohonen networks to classify chemical raster images and extract …

ChemReader extracts chemical structures from raster images using modified Hough transform and chemical spell checking …

Application of dynamical corrections formalism to TST for LJ surface diffusion, revealing bounce-back recrossings at low …

Comprehensive user guide for the Embedded-Atom Method (EAM), covering theory, potential fitting, and applications to …

Comprehensive 1993 review of the Embedded-Atom Method (EAM), covering theory, parameterization, and applications to …

A 1990 methodological paper presenting an early OCR system for digitizing chemical structure images into connectivity …

A sketch recognition system for organic chemistry that uses domain knowledge (chemical valence) to correct recognition …

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