Machine learning in drug discovery: a review
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …
techniques that are enforced in every phase of drug development to accelerate the research …
Artificial intelligence and machine learning technology driven modern drug discovery and development
C Sarkar, B Das, VS Rawat, JB Wahlang… - International Journal of …, 2023 - mdpi.com
The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …
translational science effort that adds to human invulnerability and happiness. But advancing …
Artificial intelligence in virtual screening: Models versus experiments
A typical drug discovery project involves identifying active compounds with significant
binding potential for selected disease-specific targets. Experimental high-throughput …
binding potential for selected disease-specific targets. Experimental high-throughput …
Artificial intelligence in drug design
Thanks to the fast improvement of the computing power and the rapid development of the
computational chemistry and biology, the computer-aided drug design techniques have …
computational chemistry and biology, the computer-aided drug design techniques have …
Machine learning approaches for elucidating the biological effects of natural products
R Zhang, X Li, X Zhang, H Qin, W Xiao - Natural Product Reports, 2021 - pubs.rsc.org
Covering: 2000 to 2020 Machine learning (ML) is an efficient tool for the prediction of
bioactivity and the study of structure–activity relationships. Over the past decade, an …
bioactivity and the study of structure–activity relationships. Over the past decade, an …
Artificial intelligence (AI) in drugs and pharmaceuticals
The advancement of computing and technology has invaded all the dimensions of science.
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
[HTML][HTML] Cytoplasmic DNA sensing by KU complex in aged CD4+ T cell potentiates T cell activation and aging-related autoimmune inflammation
Aging is associated with DNA accumulation and increased homeostatic proliferation of
circulating T cells. Although these attributes are associated with aging-related autoimmunity …
circulating T cells. Although these attributes are associated with aging-related autoimmunity …
Discovery of novel inhibitors of BRD4 for treating prostate cancer: a comprehensive case study for considering water networks in virtual screening and drug design
H Zhong, X Wang, S Chen, Z Wang… - Journal of Medicinal …, 2023 - ACS Publications
Androgen receptor (AR) is the primary target for treating prostate cancer (PCa), which
inevitably progresses due to drug-resistant mutations. Bromodomain-containing protein 4 …
inevitably progresses due to drug-resistant mutations. Bromodomain-containing protein 4 …
[HTML][HTML] Design, synthesis, and biological evaluation of quinazolin-4 (3H)-one derivatives co-targeting poly (ADP-ribose) polymerase-1 and bromodomain containing …
X Chang, D Sun, D Shi, G Wang, Y Chen… - … Pharmaceutica Sinica B, 2021 - Elsevier
This study was aimed to design the first dual-target small-molecule inhibitor co-targeting
poly (ADP-ribose) polymerase-1 (PARP1) and bromodomain containing protein 4 (BRD4) …
poly (ADP-ribose) polymerase-1 (PARP1) and bromodomain containing protein 4 (BRD4) …
Computer-aided drug design in epigenetics
Epigenetic dysfunction has been widely implicated in several diseases especially cancers
thus highlights the therapeutic potential for chemical interventions in this field. With rapid …
thus highlights the therapeutic potential for chemical interventions in this field. With rapid …