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Article

Multiobjective optimization of pharmacophore hypotheses: bias toward low-energy conformations.

Journal of chemical information and modeling - 1 Dec 2009

Gardiner Eleanor J, Cosgrove David A, Taylor Robin, Gillet Valerie J

Abstract excerpt

Two methods are described for biasing conformational search during pharmacophore elucidation using a multiobjective genetic algorithm (MOGA). The MOGA explores conformation on-the-fly while simultaneously aligning a set of molecules such that their pharmacophoric features are maximally overlaid....

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Identifiers

PMID: 19908873
DOI: 10.1021/ci9002816

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 2 Sept 2026. Prepared record publication-19908873-2026-09-02.2. Manifest publication-graph-cohort-2026-09-02.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 2 Sept 2026.

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