Detalhe da pesquisa
1.
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J Comput Chem
; 45(13): 953-968, 2024 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38174739
2.
Efficient exploration of transition-metal decorated MXene for carbon monoxide sensing using integrated active learning and density functional theory.
Phys Chem Chem Phys
; 25(42): 28657-28668, 2023 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37849315
3.
Assisting Multitargeted Ligand Affinity Prediction of Receptor Tyrosine Kinases Associated Nonsmall Cell Lung Cancer Treatment with Multitasking Principal Neighborhood Aggregation.
Molecules
; 27(4)2022 Feb 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35209011