Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions

S Vatansever, A Schlessinger, D Wacker… - Medicinal research …, 2021 - Wiley Online Library
Neurological disorders significantly outnumber diseases in other therapeutic areas.
However, developing drugs for central nervous system (CNS) disorders remains the most …

Current achievements and applications of transcriptomics in personalized cancer medicine

S Supplitt, P Karpinski, M Sasiadek… - International Journal of …, 2021 - mdpi.com
Over the last decades, transcriptome profiling emerged as one of the most powerful
approaches in oncology, providing prognostic and predictive utility for cancer management …

A deep learning framework for high-throughput mechanism-driven phenotype compound screening and its application to COVID-19 drug repurposing

TH Pham, Y Qiu, J Zeng, L Xie, P Zhang - Nature machine intelligence, 2021 - nature.com
Phenotype-based compound screening has advantages over target-based drug discovery,
but is unscalable and lacks understanding of mechanism of drug action. A chemical-induced …

Comparative analysis between 2D and 3D colorectal cancer culture models for insights into cellular morphological and transcriptomic variations

ZN Abbas, AZ Al-Saffar, SM Jasim, GM Sulaiman - Scientific Reports, 2023 - nature.com
Drug development is a time-consuming and expensive process, given the low success rate
of clinical trials. Now, anticancer drug developments have shifted to three-dimensional (3D) …

Multi-omics approaches in colorectal cancer screening and diagnosis, recent updates and future perspectives

I Ullah, L Yang, FT Yin, Y Sun, XH Li, J Li, XJ Wang - Cancers, 2022 - mdpi.com
Simple Summary Colorectal cancer (CRC) is one of the most prevalent cancers worldwide.
Due to the absence of specific early symptoms, most of CRC patients are often diagnosed at …

Cinnamomi ramulus inhibits cancer cells growth by inducing G2/M arrest

J Li, HY Huang, YCD Lin, H Zuo, Y Tang… - Frontiers in …, 2023 - frontiersin.org
Introduction: Cinnamomi ramulus (CR) is one of the most widely used traditional Chinese
medicine (TCM) with anti-cancer effects. Analyzing transcriptomic responses of different …

[HTML][HTML] Chemical-induced gene expression ranking and its application to pancreatic cancer drug repurposing

TH Pham, Y Qiu, J Liu, S Zimmer, E O'Neill, L Xie… - Patterns, 2022 - cell.com
Chemical-induced gene expression profiles provide critical information of chemicals in a
biological system, thus offering new opportunities for drug discovery. Despite their success …

Inferring molecular mechanisms of dexamethasone therapy in severe COVID-19 from existing transcriptomic data

A Sharma - Gene, 2021 - Elsevier
Dexamethasone, a synthetic glucocorticoid, has previously shown mortality benefit in severe
coronavirus disease 2019 (COVID-19) in a randomized controlled trial. As the illness is …

Simple, fast, and flexible framework for matrix completion with infinite width neural networks

A Radhakrishnan, G Stefanakis… - Proceedings of the …, 2022 - National Acad Sciences
Matrix completion problems arise in many applications including recommendation systems,
computer vision, and genomics. Increasingly larger neural networks have been successful in …

TRIOMPHE: transcriptome-based inference and generation of molecules with desired phenotypes by machine learning

K Kaitoh, Y Yamanishi - Journal of Chemical Information and …, 2021 - ACS Publications
One of the most challenging tasks in the drug-discovery process is the efficient identification
of small molecules with desired phenotypes. In this study, we propose a novel computational …