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.
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.
Nucleic Acids Res
; 50(D1): D1200-D1207, 2022 01 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34634800
3.
Quantitative Predictive Studies of Multiple Biological Activities of TRPV1 Modulators.
Molecules
; 29(2)2024 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38257208
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.
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
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.
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties.
Nucleic Acids Res
; 49(W1): W5-W14, 2021 07 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33893803
12.
Genome-Wide Identification and Expression Analysis of C3H Zinc Finger Family in Potato (Solanum tuberosum L.).
Int J Mol Sci
; 24(16)2023 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37629069
13.
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
14.
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
15.
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
16.
Spatial distribution and sources of seven available heavy metals in the paddy soil of red region in Hunan Province of China.
Environ Monit Assess
; 190(10): 611, 2018 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30259155
17.
Loci and candidate gene identification for resistance to Sclerotinia sclerotiorum in soybean (Glycine max L. Merr.) via association and linkage maps.
Plant J
; 82(2): 245-55, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25736370
18.
Domestication footprints anchor genomic regions of agronomic importance in soybeans.
New Phytol
; 209(2): 871-84, 2016 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26479264
19.
QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning.
J Cheminform
; 16(1): 48, 2024 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38685101
20.
Discovery of novel TRPV1 modulators through machine learning-based molecular docking and molecular similarity searching.
Chem Biol Drug Des
; 102(3): 409-423, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37489095