Computational Chemistry
Unified framework converts handwritten chemical expressions to structured graph representations

Unified Framework for Handwritten Chemical Expressions

A 2009 unified framework for inorganic/organic chemical handwriting recognition using graph search and statistical …

Computational Chemistry
Chemical Structure Reconstruction with chemoCR

Chemical Structure Reconstruction with chemoCR

A hybrid system combining pattern recognition and rule-based expert systems to reconstruct chemical structures from …

Computational Chemistry
ChemInk: Real-Time Recognition for Chemical Drawings

ChemInk: Real-Time Recognition for Chemical Drawings

A sketch recognition framework for chemical diagrams using a joint CRF model to combine multi-level visual features for …

Computational Chemistry
CLiDE Pro: Optical Chemical Structure Recognition Tool

CLiDE Pro: Optical Chemical Structure Recognition Tool

A methodological paper presenting CLiDE Pro, an OCSR system for reconstructing chemical graphs from images with ~90% …

Computational Chemistry

Imago: Structure Recognition at TREC-CHEM 2011

Open-source C++ toolkit for extracting 2D chemical structures from scientific literature using heuristic image …

Computational Chemistry

Structural Analysis of Handwritten Chemical Formulas

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

Computational Social Science
NOMINATE spatial plot showing Senate vote on Balanced Budget Amendment (1995) with legislators positioned on liberal-conservative dimension

A Spatial Model for Legislative Roll Call Analysis

Introduces NOMINATE, a probabilistic spatial model estimating legislator ideal points from roll call data via maximum …

Computational Chemistry
Automatic chemical image recognition pipeline from raster image to structured file

Automatic Recognition of Chemical Images

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

Planetary Science
Orbital diagram showing chaotic planetary trajectories

Chaotic Evolution of the Solar System (1992)

Landmark numerical study revealing chaotic dynamics and unpredictability in planetary orbits using symplectic …

Computational Chemistry
Chemical Literature Data Extraction: The CLiDE Project

Chemical Literature Data Extraction: The CLiDE Project

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

Computational Chemistry
Visualization of Gabor wavelets and Kohonen networks for chemical image classification

Chemical Machine Vision

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

Computational Chemistry
Graph of the Lennard-Jones 12-6 potential showing the characteristic attractive and repulsive forces

Dynamical Corrections to TST for Surface Diffusion

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