Computational Chemistry

Handwritten Chemical Symbol Recognition Using SVMs

A hybrid SVM and elastic matching approach for recognizing handwritten chemical symbols drawn on touch devices, …

Computational Chemistry

HMM-based Online Recognition of Chemical Symbols

Online recognition of handwritten chemical symbols using Hidden Markov Models with 11-dimensional local features, …

Computational Chemistry

On-line Handwritten Chemical Expression Recognition

Two-level algorithm for recognizing on-line handwritten chemical expressions using structural analysis, ANNs, and string …

Computational Chemistry

Online Handwritten Chemical Formula Structure Analysis

A hierarchical grammar-based approach for recognizing and analyzing online handwritten chemical formulas in mobile …

Computational Chemistry

Recognition of On-line Handwritten Chemical Expressions

A two-level recognition algorithm for on-line handwritten chemical expressions using structural and syntactic features.

Computational Chemistry

SVM-HMM Online Classifier for Chemical Symbols

A dual-stage classifier combining SVM and HMM to recognize online handwritten chemical symbols, introducing a reordering …

Computational Chemistry

Unified Framework for Handwritten Chemical Expressions

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

Computational Chemistry

Probabilistic OCSR with Markov Logic Networks

A probabilistic approach using Markov Logic Networks to recognize chemical structures from images, improving robustness …

Computational Chemistry

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 …

Machine Learning Fundamentals
Diagram showing distributed representations with three pools of units (AGENT, RELATIONSHIP, PATIENT) connected via role/identity bindings

Distributed Representations

Hinton's 1984 technical report establishing the theoretical efficiency of distributed representations over local …

Computational Chemistry

Hand Drawn Chemical Diagram Recognition

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

Computational Chemistry
Optical chemical structure recognition example

IMG2SMI: Translating Molecular Structure Images to SMILES

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