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Drug repurposing with network reinforcement.
Nam Y, Kim M, Chang HS, Shin H. Nam Y, et al. BMC Bioinformatics. 2019 Jul 24;20(Suppl 13):383. doi: 10.1186/s12859-019-2858-6. BMC Bioinformatics. 2019. PMID: 31337333 Free PMC article.
Utilizing the research friendly environment, in this study, we propose a network-based machine learning algorithm for drug repurposing. Particularly, we show a framework on how to construct a drug network, and how to strengthen the network
Utilizing the research friendly environment, in this study, we propose a network-based machine learning algorithm for drug
Model Amphipathic Peptide Coupled with Tacrine to Improve Its Antiproliferative Activity.
Silva S, Alves C, Duarte D, Costa A, Sarmento B, Almeida AJ, Gomes P, Vale N. Silva S, et al. Int J Mol Sci. 2020 Dec 29;22(1):242. doi: 10.3390/ijms22010242. Int J Mol Sci. 2020. PMID: 33383645 Free PMC article.
Drug repurposing and drug combination are two strategies that have been widely used to overcome the traditional development of new anticancer drugs. ...In turn, BBB-permeability studies were inconclusive, and conjugation to the CPP led to a considerable loss
Drug repurposing and drug combination are two strategies that have been widely used to overcome the traditional develop
Cell-based and multi-omics profiling reveals dynamic metabolic repurposing of mitochondria to drive developmental progression of Trypanosoma brucei.
Doleželová E, Kunzová M, Dejung M, Levin M, Panicucci B, Regnault C, Janzen CJ, Barrett MP, Butter F, Zíková A. Doleželová E, et al. PLoS Biol. 2020 Jun 10;18(6):e3000741. doi: 10.1371/journal.pbio.3000741. eCollection 2020 Jun. PLoS Biol. 2020. PMID: 32520929 Free PMC article.
Due to difficulties in acquiring enough parasites from the tsetse fly vector, the dynamics of the parasite's metabolic rewiring in the vector have remained obscure. Here, we took advantage of in vitro-induced differentiation to follow changes at the RNA, protein, and metab …
Due to difficulties in acquiring enough parasites from the tsetse fly vector, the dynamics of the parasite's metabolic rewiring in th …
Deep inverse reinforcement learning for structural evolution of small molecules.
Agyemang B, Wu WP, Addo D, Kpiebaareh MY, Nanor E, Roland Haruna C. Agyemang B, et al. Brief Bioinform. 2020 Dec 22:bbaa364. doi: 10.1093/bib/bbaa364. Online ahead of print. Brief Bioinform. 2020. PMID: 33348357
The size and quality of chemical libraries to the drug discovery pipeline are crucial for developing new drugs or repurposing existing drugs. ...Generative adversarial network-based methods also mostly discard the discriminator after training and could be har …
The size and quality of chemical libraries to the drug discovery pipeline are crucial for developing new drugs or repurposing
Inferring drug-disease associations based on known protein complexes.
Yu L, Huang J, Ma Z, Zhang J, Zou Y, Gao L. Yu L, et al. BMC Med Genomics. 2015;8 Suppl 2(Suppl 2):S2. doi: 10.1186/1755-8794-8-S2-S2. Epub 2015 May 29. BMC Med Genomics. 2015. PMID: 26044949 Free PMC article.
Inferring drug-disease associations is critical in unveiling disease mechanisms, as well as discovering novel functions of available drugs, or drug repositioning. ...To overcome this issue, we propose a novel methodology that discover the drug-disease …
Inferring drug-disease associations is critical in unveiling disease mechanisms, as well as discovering novel functions of available …
Artificial intelligence to deep learning: machine intelligence approach for drug discovery.
Gupta R, Srivastava D, Sahu M, Tiwari S, Ambasta RK, Kumar P. Gupta R, et al. Mol Divers. 2021 Apr 12:1-46. doi: 10.1007/s11030-021-10217-3. Online ahead of print. Mol Divers. 2021. PMID: 33844136 Free PMC article.
Machine learning and deep learning algorithms have been implemented in several drug discovery processes such as peptide synthesis, structure-based virtual screening, ligand-based virtual screening, toxicity prediction, drug monitoring and release, pharmacophore mode …
Machine learning and deep learning algorithms have been implemented in several drug discovery processes such as peptide synthesis, st …