Integrating knowledge and omics to decipher mechanisms via large‐scale models of signaling networks

M Garrido‐Rodriguez, K Zirngibl, O Ivanova… - Molecular systems …, 2022 - embopress.org
Signal transduction governs cellular behavior, and its dysregulation often leads to human
disease. To understand this process, we can use network models based on prior …

A cross-study analysis of drug response prediction in cancer cell lines

F Xia, J Allen, P Balaprakash, T Brettin… - Briefings in …, 2022 - academic.oup.com
To enable personalized cancer treatment, machine learning models have been developed
to predict drug response as a function of tumor and drug features. However, most algorithm …

Connecting omics signatures and revealing biological mechanisms with iLINCS

M Pilarczyk, M Fazel-Najafabadi, M Kouril… - Nature …, 2022 - nature.com
There are only a few platforms that integrate multiple omics data types, bioinformatics tools,
and interfaces for integrative analyses and visualization that do not require programming …

A survey of optimal strategy for signature-based drug repositioning and an application to liver cancer

C Yang, H Zhang, M Chen, S Wang, R Qian, L Zhang… - Elife, 2022 - elifesciences.org
Pharmacologic perturbation projects, such as Connectivity Map (CMap) and Library of
Integrated Network-based Cellular Signatures (LINCS), have produced many perturbed …

SigCom LINCS: data and metadata search engine for a million gene expression signatures

JE Evangelista, DJB Clarke, Z Xie… - Nucleic acids …, 2022 - academic.oup.com
Millions of transcriptome samples were generated by the Library of Integrated Network-
based Cellular Signatures (LINCS) program. When these data are processed into …

Validating small molecule chemical probes for biological discovery

V Vu, MM Szewczyk, DY Nie… - Annual review of …, 2022 - annualreviews.org
Small molecule chemical probes are valuable tools for interrogating protein biological
functions and relevance as a therapeutic target. Rigorous validation of chemical probe …

Drug target inference by mining transcriptional data using a novel graph convolutional network framework

F Zhong, X Wu, R Yang, X Li, D Wang, Z Fu, X Liu… - Protein & …, 2022 - academic.oup.com
ABSTRACT A fundamental challenge that arises in biomedicine is the need to characterize
compounds in a relevant cellular context in order to reveal potential on-target or off-target …

Glutamine-fructose-6-phosphate transaminase 2 (GFPT2) Is upregulated in breast epithelial–mesenchymal transition and responds to oxidative stress

Q Wang, ST Karvelsson, A Kotronoulas… - Molecular & Cellular …, 2022 - ASBMB
Breast cancer cells that have undergone partial epithelial–mesenchymal transition (EMT)
are believed to be more invasive than cells that have completed EMT. To study metabolic …

Drug repositioning for cancer in the era of AI, big omics, and real-world data

R Wieder, N Adam - Critical Reviews in Oncology/Hematology, 2022 - Elsevier
Drug repositioning in cancer has been pursued for years because of slowing drug
development, increasing costs, and the availability of drugs licensed for other indications …

Data considerations for predictive modeling applied to the discovery of bioactive natural products

HT Xue, M Stanley-Baker, AWK Kong, HL Li… - Drug discovery today, 2022 - Elsevier
Highlights•Natural products are an important source of therapeutic compounds.•Natural
product research can benefit greatly from advances in AI.•Knowledge integration is a limiting …