Efficient Generation of Stable Planar Cages for Chemistry

TL;DR

This paper presents an algorithm for efficiently generating all stable, colored planar maps representing molecules, aiding chemists in exploring possible compound structures from basic components.

Contribution

The paper introduces a novel algorithm for generating stable planar molecular structures from simple motifs, facilitating chemical compound exploration.

Findings

Algorithm efficiently generates all stable planar maps.

Implementation helps chemists explore molecular combinations.

Supports rapid generation of chemically valid molecules.

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.