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The Cartographer
Efficient Generation of Stable Planar Cages for Chemistry
March 23, 2015 Β· Declared Dead Β· π The Sea
"No code URL or promise found in abstract"
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Authors
Dominique Barth, Olivier David, Franck Quessette, Vincent Reinhard, Yann Strozecki, Sandrine Vial
arXiv ID
1503.06610
Category
cs.DS: Data Structures & Algorithms
Citations
11
Venue
The Sea
Last Checked
4 months ago
Abstract
In this paper we describe an algorithm which generates all colored planar maps with a good minimum sparsity from simple motifs and rules to connect them. An implementation of this algorithm is available and is used by chemists who want to quickly generate all sound molecules they can obtain by mixing some basic components.
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