AtomLenz: Atom-Level OCSR with Limited Supervision
Weakly supervised OCSR framework combining object detection and graph construction to recognize chemical structures from …
Graph-Theory
MolScribe: Image-to-Graph Molecular Recognition
Image-to-graph generation model for OCSR that predicts atoms, bonds, and coordinates jointly to better handle …
Online Handwritten Chemical Formula Structure Analysis
A hierarchical grammar-based approach for recognizing and analyzing online handwritten chemical formulas in mobile …
MolNexTR: Dual-Stream Molecular Image Recognition
Dual-stream encoder combining ConvNext and ViT for robust optical chemical structure recognition across diverse …
The Number of Isomeric Hydrocarbons of the Methane Series
Henze and Blair's 1931 JACS paper deriving exact recursive formulas for counting constitutional alkane isomers.
3D Steerable CNNs: Rotationally Equivariant Features
Weiler et al.'s NeurIPS 2018 paper introducing SE(3)-equivariant CNNs for volumetric data using group theory and …
An Introduction to Knowledge-Based Agents
Learn about knowledge-based agents: how AI systems use knowledge bases, reasoning, and inference to build intelligent …