Concepedia

Jules Leguy

JL

Statistics

Publications

5

Citations

289

H-Index

5

Active since

2019

Affiliations

Université d'Angers(Current)

Centre National de la Recherche Scientifique

Institut des Sciences et Technologies Moléculaires d'Angers

Jules Leguy is an author at Université d'Angers specializing in chemistry, chemical space exploration, and computational chemistry.

ORCID

Publications per year

2019–2023

5

Publications

5

Dataset’s chemical diversity limits the generalizability of machine learning predictions

Marta Glavatskikh, Jules Leguy, Gilles Hunault et al. · Journal of Cheminformatics · 2019 · 137 citations · Full text

, , +16

EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation

Jules Leguy, Thomas Cauchy, Marta Glavatskikh et al. · Journal of Cheminformatics · 2020 · 65 citations · Full text

, , +10

MixONat, a Software for the Dereplication of Mixtures Based on <sup>13</sup>C NMR Spectroscopy

Antoine Bruguière, Séverine Derbré, Joël Dietsch et al. · Analytical Chemistry · 2020 · 63 citations · Full text

, , +17

Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

Jules Leguy, Marta Glavatskikh, Thomas Cauchy et al. · Journal of Cheminformatics · 2021 · 14 citations · Full text

, , +11

Definition and exploration of realistic chemical spaces using the connectivity and cyclic features of ChEMBL and ZINC

Thomas Cauchy, Jules Leguy, Benoit Da Mota · Digital Discovery · 2023 · 10 citations · Full text

, , +13

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