Search Results - "Thoreau, Etienne"

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    New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment space by Brethon, Anne, Chantalat, Laurent, Christin, Olivier, Clary, Laurence, Fournier, Jean-François, Gastreich, Marcus, Harris, Craig S., Isabet, Tatiana, Pascau, Jonathan, Thoreau, Etienne, Roche, Didier, Rodeschini, Vincent

    Published in Bioorganic & medicinal chemistry letters (15-12-2017)
    “…[Display omitted] Virtual fragmentation of a library of 12,000 compounds inspired by natural products led to a dataset of 153,000 fragments that was used as a…”
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    Journal Article
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    A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm by Douguet, D, Thoreau, E, Grassy, G

    Published in Journal of computer-aided molecular design (01-07-2000)
    “…Rational drug design involves finding solutions to large combinatorial problems for which an exhaustive search is impractical. Genetic algorithms provide a…”
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    Journal Article
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    Quantitative structure-activity relationship studies of RAR α, β, γ retinoid agonists by Douguet, Dominique, Thoreau, Etienne, Grassy, Gérard

    “…Structure‐Activity Relationships have been established for 140 synthetic retinoid agonists. Retinoids, natural and synthetic analogues of vitamin A, are…”
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