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algorithmic graph theory

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2 results in Keywords: algorithmic graph theory

Analytical Chemistry

MAYGEN - an Open-Source Chemical Structure Generator for Constitutional Isomers Based on the Orderly Generation Principle

Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck

Version 2 posted 03 May 2021

769

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Physical Chemistry

Algorithmic graph theory, reinforcement learning and game theory in MD simulations: from 3D-structures to topological 2D-MolGraphs and backwards

Sana Bougueroua, Marie Bricage, Ylène Aboulfath, Dominique Barth, Marie-Pierre Gaigeot

Version 1 posted 03 November 2022

231

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