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Article

A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm.

Journal of computer-aided molecular design - 1 Jul 2000

Douguet D, Thoreau E, Grassy G

Abstract excerpt

Rational drug design involves finding solutions to large combinatorial problems for which an exhaustive search is impractical. Genetic algorithms provide a novel tool for the investigation of such problems. These are a class of algorithms that mimic some of the major characteristics of Darwinian evolution. LEA has been designed in order to conceive novel small organic molecules which satisfy quantitative...

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PMID: 10896317
DOI: 10.1023/a:1008108423895

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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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