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Deep learning and virtual drug screening
KA Carpenter, DS Cohen, JT Jarrell… - Future medicinal …, 2018 - Taylor & Francis
Current drug development is still costly and slow given tremendous technological
advancements in drug discovery and medicinal chemistry. Using machine learning (ML) to …
advancements in drug discovery and medicinal chemistry. Using machine learning (ML) to …
In silico polypharmacology of natural products
Natural products with polypharmacological profiles have demonstrated promise as novel
therapeutics for various complex diseases, including cancer. Currently, many gaps exist in …
therapeutics for various complex diseases, including cancer. Currently, many gaps exist in …
Applications of virtual screening in bioprospecting: Facts, shifts, and perspectives to explore the chemo-structural diversity of natural products
Natural products are continually explored in the development of new bioactive compounds
with industrial applications, attracting the attention of scientific research efforts due to their …
with industrial applications, attracting the attention of scientific research efforts due to their …
Artificial intelligence, machine learning, and big data for ebola virus drug discovery
The effect of Ebola virus disease (EVD) is fatal and devastating, necessitating several efforts
to identify potent biotherapeutic molecules. This review seeks to provide perspectives on …
to identify potent biotherapeutic molecules. This review seeks to provide perspectives on …
Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking
M Wang, S Hou, Y Wei, D Li, J Lin - PLoS Computational Biology, 2021 - journals.plos.org
Adenosine receptors (ARs) have been demonstrated to be potential therapeutic targets
against Parkinson's disease (PD). In the present study, we describe a multistage virtual …
against Parkinson's disease (PD). In the present study, we describe a multistage virtual …
Yearning for machine learning: applications for the classification and characterisation of senescence
BK Hughes, R Wallis, CL Bishop - Cell and Tissue Research, 2023 - Springer
Senescence is a widely appreciated tumour suppressive mechanism, which acts as a barrier
to cancer development by arresting cell cycle progression in response to harmful stimuli …
to cancer development by arresting cell cycle progression in response to harmful stimuli …
A hybrid resampling algorithms SMOTE and ENN based deep learning models for identification of Marburg virus inhibitors
M Kumari, N Subbarao - Future Medicinal Chemistry, 2022 - Taylor & Francis
Background: Marburg virus (MARV) is a sporadic outbreak of a zoonotic disease that causes
lethal hemorrhagic fever in humans. We propose a deep learning model with resampling …
lethal hemorrhagic fever in humans. We propose a deep learning model with resampling …
Status quo and future prospects of artificial neural network from the perspective of gastroenterologists
B Cao, KC Zhang, B Wei… - World Journal of …, 2021 - pmc.ncbi.nlm.nih.gov
Artificial neural networks (ANNs) are one of the primary types of artificial intelligence and
have been rapidly developed and used in many fields. In recent years, there has been a …
have been rapidly developed and used in many fields. In recent years, there has been a …
Cellular senescence signaling in cancer: A novel therapeutic target to combat human malignancies
Senescence is a special state of tumor suppression induced by cell cycle arrest. However,
releasing senescence-associated secretory phenotypes by senescent cells could provide …
releasing senescence-associated secretory phenotypes by senescent cells could provide …
Big data to knowledge: application of machine learning to predictive modeling of therapeutic response in cancer
S Panja, S Rahem, CJ Chu, A Mitrofanova - Current genomics, 2021 - benthamdirect.com
Background: In recent years, the availability of high throughput technologies, establishment
of large molecular patient data repositories, and advancement in computing power and …
of large molecular patient data repositories, and advancement in computing power and …