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Article

A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules.

Journal of chemical information and computer sciences - 1 Jan 2000

Brown Nathan, McKay Ben, Gilardoni François, Gasteiger Johann

Abstract excerpt

In this paper we propose a novel graph-based genetic algorithm for the evolution of novel molecular graphs from a predefined set of elements or molecular fragments with an external objective function. A brief overview of existing genetic algorithm approaches in molecular design is provided followed by a description of our approach. The paper continues to suggest a novel application of this program to the...

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Identifiers

PMID: 15154776
DOI: 10.1021/ci034290p

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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