PaperType: Drug Discovery
10 posts
Drug repurposing approaches and validation through DISNET data
E Ugarte Carro
Biblioteca ETSI Agrónomos (2022)
https://oa.upm.es/69193/
Biblioteca ETSI Agrónomos (2022)
https://oa.upm.es/69193/
WikiPathways: Integrating Pathway Knowledge with Clinical Data
DN Slenter, M Kutmon, EL Willighagen
… Guide to the Diagnosis, Treatment, and …, 2022
https://link.springer.com/chapter/10.1007/978-3-030-67727-5_73
… Guide to the Diagnosis, Treatment, and …, 2022
https://link.springer.com/chapter/10.1007/978-3-030-67727-5_73
Acyl-CoA Identification in Mouse Liver Samples Using the In Silico CoA-Blast Tandem Mass Spectral Library
U Keshet, T Kind, X Lu, S Devi, O Fiehn
Anal. Chem. 2022, 94, 6, 2732–2739
https://doi.org/10.1021/acs.analchem.1c03272
Anal. Chem. 2022, 94, 6, 2732–2739
https://doi.org/10.1021/acs.analchem.1c03272
Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study
MAA Ibrahim, AHM Abdelrahman, EAA Badr…
Molecular Diversity, Published Online: 2022-02-28
https://doi.org/10.1007/s11030-022-10389-6
Molecular Diversity, Published Online: 2022-02-28
https://doi.org/10.1007/s11030-022-10389-6
ChemicalX: A Deep Learning Library for Drug Pair Scoring
B Rozemberczki, CT Hoyt, A Gogleva, P Grabowski…
arXiv preprint arXiv …, 2022
https://doi.org/10.48550/arXiv.2202.05240
arXiv preprint arXiv …, 2022
https://doi.org/10.48550/arXiv.2202.05240
A Systems Biology Workflow to Support the Diagnosis of Pyrimidine and Urea Cycle Disorders
DN Slenter, IMGM Hemel, CT Evelo, J Bierau…
medRxiv, 2022
https://doi.org/10.1101/2022.01.31.21265847
medRxiv, 2022
https://doi.org/10.1101/2022.01.31.21265847
INPUT: An intelligent network pharmacology platform unique for traditional Chinese medicine
Xianhai Lia, QiangTang, Fanbo Menga, Pufeng Duc, Wei Chen
Comp and Struc Biotech J 20, 1345-1351. 2022.
https://doi.org/10.1016/j.csbj.2022.03.006
Comp and Struc Biotech J 20, 1345-1351. 2022.
https://doi.org/10.1016/j.csbj.2022.03.006
Exploration of Ultralarge Compound Collections for Drug Discovery
Wendy A. Warr, Marc C. Nicklaus, Christos A. Nicolaou, and Matthias Rarey
J. Chem. Inf. Model. 2022, 62, 9, 2021–2034, 2022.
https://doi.org/10.1021/acs.jcim.2c00224
J. Chem. Inf. Model. 2022, 62, 9, 2021–2034, 2022.
https://doi.org/10.1021/acs.jcim.2c00224
The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity
Valeria Catalani, Michelle Botha , John Martin Corkery , Amira Guirguis, Alessandro Vento, Norbert Scherbaum, and Fabrizio Schifano
Pharmaceuticals 2021,14,720, 2021.
https://doi.org/ 10.3390/ph14080720
Pharmaceuticals 2021,14,720, 2021.
https://doi.org/ 10.3390/ph14080720
Predicting biochemical and physiological effects of natural products from molecular structures using machine learning
Junhyeok Jeon, Seongmo Kang, Hyun Uk Kim
Natural Product Reports,38, Issue 11, 1954-1966, 2021.
https://doi.org/10.1039/d1np00016k
Natural Product Reports,38, Issue 11, 1954-1966, 2021.
https://doi.org/10.1039/d1np00016k