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.
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
3.
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
4.
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
5.
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
6.
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
7.
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
8.
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
9.
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
10.
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
11.
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
12.
Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts.
Drug Discov Today
; 26(6): 1353-1358, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33581116
13.
[Spatial variability of nutrients and heavy metals in paddy field soils based on GIS and Geostatistics.] / åºäºGISåå°ç»è®¡å¦ç稻ç°åå£¤å »åä¸ééå±ç©ºé´åå¼.
Ying Yong Sheng Tai Xue Bao
; 29(6): 1893-1901, 2018 Jun.
Artigo
em Chinês
| MEDLINE | ID: mdl-29974699