Detalhe da pesquisa
1.
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.
J Chem Inf Model
; 63(10): 2960-2974, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37166179
2.
Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions.
J Chem Inf Model
; 60(8): 3722-3730, 2020 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32701288
3.
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding.
J Cheminform
; 15(1): 84, 2023 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37726844