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MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
J Chem Inf Model. 2024 Apr 8;64(7):2331-2344. doi: 10.1021/acs.jcim.3c00799. Epub 2023 Aug 29.
J Chem Inf Model. 2024.
PMID: 37642660
Free PMC article.
Molecular Assays Simulator to Unravel Predictors Hacking in Goal-Directed Molecular Generations.
Gendreau P, Turk JA, Drizard N, Ribeiro da Silva VB, Descamps C, Gaston-Mathé Y.
Gendreau P, et al. Among authors: drizard n.
J Chem Inf Model. 2023 Jul 10;63(13):3983-3998. doi: 10.1021/acs.jcim.3c00195. Epub 2023 Jun 22.
J Chem Inf Model. 2023.
PMID: 37347961
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Exploring isofunctional molecules: Design of a benchmark and evaluation of prediction performance.
Pinel P, Guichaoua G, Najm M, Labouille S, Drizard N, Gaston-Mathé Y, Hoffmann B, Stoven V.
Pinel P, et al. Among authors: drizard n.
Mol Inform. 2023 Apr;42(4):e2200216. doi: 10.1002/minf.202200216. Epub 2023 Feb 17.
Mol Inform. 2023.
PMID: 36633361
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On the Frustration to Predict Binding Affinities from Protein-Ligand Structures with Deep Neural Networks.
Volkov M, Turk JA, Drizard N, Martin N, Hoffmann B, Gaston-Mathé Y, Rognan D.
Volkov M, et al. Among authors: drizard n.
J Med Chem. 2022 Jun 9;65(11):7946-7958. doi: 10.1021/acs.jmedchem.2c00487. Epub 2022 May 24.
J Med Chem. 2022.
PMID: 35608179
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