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 …

In silico polypharmacology of natural products

J Fang, C Liu, Q Wang, P Lin… - Briefings in bioinformatics, 2018 - academic.oup.com
Natural products with polypharmacological profiles have demonstrated promise as novel
therapeutics for various complex diseases, including cancer. Currently, many gaps exist in …

Artificial intelligence, machine learning, and big data for ebola virus drug discovery

SK Kwofie, J Adams, E Broni, KS Enninful, C Agoni… - Pharmaceuticals, 2023 - mdpi.com
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 …

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 …

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 …

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 …

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 …

Cellular senescence signaling in cancer: A novel therapeutic target to combat human malignancies

S Fakhri, SZ Moradi, LK DeLiberto… - Biochemical pharmacology, 2022 - Elsevier
Senescence is a special state of tumor suppression induced by cell cycle arrest. However,
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 …