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1.
DrugSpaceX: a large screenable and synthetically tractable database extending drug space.
Nucleic Acids Res
; 49(D1): D1170-D1178, 2021 01 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-33104791
2.
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.
Bioinformatics
; 36(16): 4406-4414, 2020 08 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32428219
3.
Discovery and characterization of natural products as novel indoleamine 2,3-dioxygenase 1 inhibitors through high-throughput screening.
Acta Pharmacol Sin
; 41(3): 423-431, 2020 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-31197246
4.
Sequence-based drug design as a concept in computational drug design.
Nat Commun
; 14(1): 4217, 2023 07 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37452028
5.
Prediction of serious eye damage or eye irritation potential of compounds via consensus labelling models and active learning models based on uncertainty strategies.
Food Chem Toxicol
; 169: 113420, 2022 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-36108981
6.
Drug target inference by mining transcriptional data using a novel graph convolutional network framework.
Protein Cell
; 13(4): 281-301, 2022 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-34677780
7.
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation.
J Med Chem
; 65(1): 103-119, 2022 01 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-34821145
8.
Targeting UHRF1-SAP30-MXD4 axis for leukemia initiating cell eradication in myeloid leukemia.
Cell Res
; 32(12): 1105-1123, 2022 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36302855
9.
Design, synthesis and biological evaluation of pyrazolo[3,4-d]pyridazinone derivatives as covalent FGFR inhibitors.
Acta Pharm Sin B
; 11(3): 781-794, 2021 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-33777682
10.
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model.
J Med Chem
; 63(12): 6523-6537, 2020 06 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-32191458
11.
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation.
J Med Chem
; 63(16): 8723-8737, 2020 08 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-31364850
12.
Multi-analytical strategy for unassigned peaks using physical/mathematical separation, fragmental rules and retention index prediction: An example of sesquiterpene metabolites characterization in Cyperus rotundus.
J Pharm Biomed Anal
; 154: 476-485, 2018 May 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-29621725
13.
A modified multiscale peak alignment method combined with trilinear decomposition to study the volatile/heat-labile components in Ligusticum chuanxiong Hort - Cyperus rotundus rhizomes by HS-SPME-GC/MS.
J Chromatogr B Analyt Technol Biomed Life Sci
; 1079: 41-50, 2018 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29438837
14.
Application of Subwindow Factor Analysis and Mass Spectral information for accurate alignment of non-targeted metabolic profiling.
J Chromatogr A
; 1563: 162-170, 2018 Aug 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-29880218
15.
Chemometrics-enhanced one-dimensional/comprehensive two-dimensional gas chromatographic analysis for bioactive terpenoids and phthalides in Chaihu Shugan San essential oils.
J Chromatogr B Analyt Technol Biomed Life Sci
; 1052: 158-168, 2017 May 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-28390283
16.
Accurate recognition and feature qualify for flavonoid extracts from Liang-wai Gan Cao by liquid chromatography-high resolution-mass spectrometry and computational MS/MS fragmentation.
J Pharm Biomed Anal
; 146: 37-47, 2017 Nov 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-28850862
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