Detalhe da pesquisa
1.
ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization.
Brief Bioinform
; 25(2)2024 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38385872
2.
Reducing false positive rate of docking-based virtual screening by active learning.
Brief Bioinform
; 24(1)2023 01 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36642412
3.
BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study.
Brief Bioinform
; 22(1): 474-484, 2021 01 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-31885044
4.
Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules.
Brief Bioinform
; 22(6)2021 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34427296
5.
Scopy: an integrated negative design python library for desirable HTS/VS database design.
Brief Bioinform
; 22(3)2021 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32892221
6.
Improving structure-based virtual screening performance via learning from scoring function components.
Brief Bioinform
; 22(3)2021 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32496540
7.
PySmash: Python package and individual executable program for representative substructure generation and application.
Brief Bioinform
; 22(5)2021 09 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33709154
8.
ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds.
Brief Bioinform
; 22(4)2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33201188
9.
QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.
Brief Bioinform
; 22(5)2021 09 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33418563
10.
Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors.
Brief Bioinform
; 22(6)2021 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33940596
11.
Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches.
J Chem Inf Model
; 63(1): 111-125, 2023 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36472475
12.
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
13.
Efficacy of Huaiqihuang granules as adjuvant therapy for bronchial asthma in children: a real-world study. / æ§æé»é¢ç²è¾ å©æ²»çå¿ç«¥æ¯æ°ç®¡å®åçæççå®ä¸çç 究.
Zhongguo Dang Dai Er Ke Za Zhi
; 23(9): 877-881, 2021.
Artigo
em Inglês, Zh
| MEDLINE | ID: mdl-34535200
14.
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.
J Chem Inf Model
; 60(9): 4216-4230, 2020 09 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32352294
15.
Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays.
J Chem Inf Model
; 60(4): 2031-2043, 2020 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32202787
16.
Systematic Modeling of logâ¯D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis.
J Chem Inf Model
; 60(1): 63-76, 2020 01 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-31869226
17.
Efficacy of MaZiRenWan, a Chinese Herbal Medicine, in Patients With Functional Constipation in a Randomized Controlled Trial.
Clin Gastroenterol Hepatol
; 17(7): 1303-1310.e18, 2019 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29654915
18.
Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery.
J Chem Inf Model
; 59(9): 3714-3726, 2019 09 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31430151
19.
Interference of Quercetin on Astragalus Polysaccharide-Induced Macrophage Activation.
Molecules
; 23(7)2018 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29958399
20.
MOST: most-similar ligand based approach to target prediction.
BMC Bioinformatics
; 18(1): 165, 2017 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-28284192