2 citations · 2 across the 2 of their papers we have counts for
2 papers
cs.DS2026
Computational Generation of Substrate-Specific Molecular Cages
Noé Demange, Yann Strozecki, Sandrine Vial
In this paper, we propose a method to build molecular cages designed to capture a specific substrate. We model a cage as a graph of atoms with coordinates in space, and several con…
cs.DS2015★ 2 cited
Efficient Generation of Stable Planar Cages for Chemistry
Dominique Barth, Olivier David, Franck Quessette +3
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…