Dataset’s chemical diversity limits the generalizability of machine learning predictions - Archive ouverte HAL
Article Dans Une Revue Journal of Cheminformatics Année : 2019

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hal-02644756 , version 1 (28-05-2020)

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Marta Glavatskikh, Jules Leguy, Gilles Hunault, Thomas Cauchy, Benoit da Mota. Dataset’s chemical diversity limits the generalizability of machine learning predictions. Journal of Cheminformatics, 2019, 11 (1), ⟨10.1186/s13321-019-0391-2⟩. ⟨hal-02644756⟩
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