Detalhe da pesquisa
1.
SynergyX: a multi-modality mutual attention network for interpretable drug synergy prediction.
Brief Bioinform
; 25(2)2024 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38340091
2.
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency.
Brief Bioinform
; 25(1)2023 11 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38171930
3.
Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening.
Acc Chem Res
; 57(10): 1500-1509, 2024 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38577892
4.
SPLDExtraTrees: robust machine learning approach for predicting kinase inhibitor resistance.
Brief Bioinform
; 23(3)2022 05 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35262669
5.
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning.
Brief Bioinform
; 23(2)2022 03 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35062020
6.
Knowledge-based BERT: a method to extract molecular features like computational chemists.
Brief Bioinform
; 23(3)2022 05 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35438145
7.
Acquired diffuse palmoplantar erythema with keratoderma in Chinese patients with pustular psoriasis: A predictor for IL36 receptor antagonist c.115+6T>C mutation?
Exp Dermatol
; 33(3): e15056, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38488485
8.
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space.
J Chem Inf Model
; 64(4): 1213-1228, 2024 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38302422
9.
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes.
Phys Chem Chem Phys
; 26(13): 10323-10335, 2024 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38501198
10.
Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method.
Brief Bioinform
; 22(5)2021 09 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33866354
11.
TrimNet: learning molecular representation from triplet messages for biomedicine.
Brief Bioinform
; 22(4)2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33147620
12.
MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction.
Brief Bioinform
; 22(6)2021 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33951729
13.
Deficiency of interleukin-36 receptor antagonist (DITRA): An analysis of 58 Chinese patients in a tertiary hospital in Taiwan.
Exp Dermatol
; 32(8): 1272-1278, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-36843341
14.
Discrete Time Crystal Enabled by Stark Many-Body Localization.
Phys Rev Lett
; 130(12): 120403, 2023 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37027857
15.
Predictors for the effectiveness of 75 mg risankizumab in treating psoriasis-A real-word evidence from a 52-week retrospective study.
Exp Dermatol
; 32(12): 2138-2148, 2023 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37864438
16.
Deep Generation Model Guided by the Docking Score for Active Molecular Design.
J Chem Inf Model
; 63(10): 2983-2991, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37163364
17.
From Black Boxes to Actionable Insights: A Perspective on Explainable Artificial Intelligence for Scientific Discovery.
J Chem Inf Model
; 63(24): 7617-7627, 2023 Dec 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38079566
18.
Improved GNNs for Logâ¯D7.4 Prediction by Transferring Knowledge from Low-Fidelity Data.
J Chem Inf Model
; 63(8): 2345-2359, 2023 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37000044
19.
Molecular Generation with Reduced Labeling through Constraint Architecture.
J Chem Inf Model
; 63(11): 3319-3327, 2023 06 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37184885
20.
Variational Quantum-Neural Hybrid Eigensolver.
Phys Rev Lett
; 128(12): 120502, 2022 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35394326