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 …

Connectivity mapping: methods and applications

AB Keenan, ML Wojciechowicz, Z Wang… - Annual Review of …, 2019 - annualreviews.org
Connectivity mapping resources consist of signatures representing changes in cellular state
following systematic small-molecule, disease, gene, or other form of perturbations. Such …

MultiPLIER: a transfer learning framework for transcriptomics reveals systemic features of rare disease

JN Taroni, PC Grayson, Q Hu, S Eddy, M Kretzler… - Cell systems, 2019 - cell.com
Most gene expression datasets generated by individual researchers are too small to fully
benefit from unsupervised machine-learning methods. In the case of rare diseases, there …

Beyondcell: targeting cancer therapeutic heterogeneity in single-cell RNA-seq data

C Fustero-Torre, MJ Jiménez-Santos, S García-Martín… - Genome Medicine, 2021 - Springer
We present Beyondcell, a computational methodology for identifying tumour cell
subpopulations with distinct drug responses in single-cell RNA-seq data and proposing …

A genetic algorithm-based ensemble learning framework for drug combination prediction

L Wu, X Ye, Y Zhang, J Gao, Z Lin, B Sui… - Journal of Chemical …, 2023 - ACS Publications
Combination therapy is a promising clinical treatment strategy for cancer and other complex
diseases. Multiple drugs can target multiple proteins and pathways, greatly improving the …

Signatures of cell death and proliferation in perturbation transcriptomics data—from confounding factor to effective prediction

B Szalai, V Subramanian, CH Holland… - Nucleic Acids …, 2019 - academic.oup.com
Transcriptional perturbation signatures are valuable data sources for functional genomics.
Linking perturbation signatures to screenings opens the possibility to model cellular …

[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 …

Transfer learning with kernel methods

A Radhakrishnan, M Ruiz Luyten, N Prasad… - Nature …, 2023 - nature.com
Transfer learning refers to the process of adapting a model trained on a source task to a
target task. While kernel methods are conceptually and computationally simple models that …

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 …

Using common genetic variants to find drugs for common epilepsies

N Mirza, R Stevelink, B Taweel… - Brain …, 2021 - academic.oup.com
Better drugs are needed for common epilepsies. Drug repurposing offers the potential of
significant savings in the time and cost of developing new treatments. In order to select the …