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MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information

Academic Journal

Heyndrickx, W.; Ceulemans, H.; Mervin, L.; Morawietz, T.; Göller, A.H.; Sturm, N.; Fechner, N.; Holway, N.; Ertl, P.; Schuffenhauer, A.; Friedrich, L.; Krug, M.; Rippmann, F.; Zalewski, A.; Zumsande, F.; Pentina, A.; Clevert, D.-A.; Humbeck, L.; Beck, B.; Oldenhof, M.; Simm, J.; Arany, A.; Loeb, R.; Moreau, Y.; Schmidtke, P.; Drizard, N.; Jabal, R.; Do Huu, N.; Afanasyeva, A.; Fuji, H.; Verma, S.; Harnqvist, S.; Holmes, M.; Luscombe, C.; Green, D.; Marcus, D.; Pickett, S.; Pejo, B.; Acs, G.; Telenczuk, M.; Dieckmann, A.; Rieke, N.; Antal, P.; Boniface, E.; Sun, Y.; Niwayama, R.; Gohier, A.; Engkvist, O.; Galtier, M.N.

In: Journal of Chemical Information and Modeling. (Journal of Chemical Information and Modeling, 8 April 2024, 64(7):2331-2344)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Integrating synthetic accessibility with AI-based generative drug design

Academic Journal

Parrot, M.; Tajmouati, H.; da Silva, V.B.R.; Atwood, B.R.; Fourcade, R.; Gaston-Mathé, Y.; Do Huu, N.; Perron, Q.

In: Journal of Cheminformatics. (Journal of Cheminformatics, December 2023, 15(1))

EBSCOHost PDF Full Text (ProQuest Central) Full Text (Gale Academic Onefile) Open Access (BioMed Central) Web of Science JCR 저널정보 Scopus Find it@PNU

Deep generative models for ligand-based de novo design applied to multi-parametric optimization

Academic Journal

Perron, Q.; Tajmouati, H.; Skiredj, A.; Do Huu, N.; Gaston-Mathé, Y.; Mirguet, O.; Rojas, A.; Gohier, A.; Ducrot, P.; Bourguignon, M.-P.; Sansilvestri-Morel, P.; Gellibert, F.

In: Journal of Computational Chemistry. (Journal of Computational Chemistry, 15 April 2022, 43(10):692-703)

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Using Artificial Intelligence for de novo Drug Design and Retrosynthesis

Book

Arora, R.; Brosse, N.; Descamps, C.; Devaux, N.; Do Huu, N.; Gendreau, P.; Gaston-Mathe, Y.; Parrot, M.; Perron, Q.; Tajmouati, H.

In: Computational Drug Discovery: Methods and Applications: Volumes 1-2. (Computational Drug Discovery: Methods and Applications: Volumes 1-2, 1 January 2024, :275-298)

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New records of potent in-vitro antidiabetic properties of dalbergia tonkinensis heartwood and the bioactivity-guided isolation of active compounds

Academic Journal

Van Bon, N.; Nhan, N.T.; Nguyen, T.H.; Dai Nguyen, N.P.; Wang, S.-L.; Do Huu, N.; Cuong, N.M.

In: Molecules. (Molecules, 2018, 23(7))

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Combining structural descriptions and image-based representations for image, object, and scene recognition

Conference

Do Huu, N.; Paquier, W.; Chatila, R.

In: IJCAI International Joint Conference on Artificial Intelligence, 19th International Joint Conference on Artificial Intelligence, IJCAI 2005. (IJCAI International Joint Conference on Artificial Intelligence, 2005, :1452-1457)

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