Detalhe da pesquisa
1.
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
J Chem Inf Model
; 64(7): 2331-2344, 2024 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37642660
2.
Molecular Assays Simulator to Unravel Predictors Hacking in Goal-Directed Molecular Generations.
J Chem Inf Model
; 63(13): 3983-3998, 2023 07 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37347961
3.
Exploring isofunctional molecules: Design of a benchmark and evaluation of prediction performance.
Mol Inform
; 42(4): e2200216, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36633361
4.
On the Frustration to Predict Binding Affinities from Protein-Ligand Structures with Deep Neural Networks.
J Med Chem
; 65(11): 7946-7958, 2022 06 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35608179