# Algorithmic Graph Theory, Reinforcement Learning and Game Theory in MD Simulations: From 3D Structures to Topological 2D-Molecular Graphs (2D-MolGraphs) and Vice Versa

> Research article (Molecules, 2023) · cited 15× · AI/ML

**Wikidata**: [openalex:W4360865008](https://www.wikidata.org/wiki/openalex:W4360865008)  
**Source**: https://4ort.xyz/entity/algorithmic-graph-theory-reinforcement-learning-and-game-theory-in-md-simulations-from-3d-structures-to-topological-2d-m