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Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL) methods have shown great potential in this area, models that…

Predicting the response of a cancer cell line to a therapeutic drug is pivotal for personalized medicine. Despite numerous deep learning methods that have been developed for drug response prediction, integrating diverse information about…

Machine Learning · Computer Science 2025-03-31 Haoyuan Shi , Tao Xu , Xiaodi Li , Qian Gao , Zhiwei Xiong , Junfeng Xia , Zhenyu Yue

Drug resistance is a major threat to the global health and a significant concern throughout the clinical treatment of diseases and drug development. The mutation in proteins that is related to drug binding is a common cause for adaptive…

Quantitative Methods · Quantitative Biology 2022-05-18 Ziyi Yang , Zhaofeng Ye , Yijia Xiao , Changyu Hsieh , Shengyu Zhang

Drug resistance presents a major challenge in cancer therapy. Single cell profiling offers insights into cellular heterogeneity, yet the application of large-scale foundation models for predicting drug response in single cell data remains…

Artificial Intelligence · Computer Science 2025-05-12 Qing Wang , Yining Pan , Minghao Zhou , Zijia Tang , Yanfei Wang , Guangyu Wang , Qianqian Song

AI-driven drug response prediction holds great promise for advancing personalized cancer treatment. However, the inherent heterogenity of cancer and high cost of data generation make accurate prediction challenging. In this study, we…

Machine Learning · Computer Science 2025-05-14 Till Rossner , Ziteng Li , Jonas Balke , Nikoo Salehfard , Tom Seifert , Ming Tang

Building on Yu and Kumbier's PCS framework and for randomized experiments, we introduce a novel methodology for Stable Discovery of Interpretable Subgroups via Calibration (StaDISC), with large heterogeneous treatment effects. StaDISC was…

Methodology · Statistics 2020-09-30 Raaz Dwivedi , Yan Shuo Tan , Briton Park , Mian Wei , Kevin Horgan , David Madigan , Bin Yu

Due to cancer's complex nature and variable response to therapy, precision oncology informed by omics sequence analysis has become the current standard of care. However, the amount of data produced for each patients makes it difficult to…

Machine Learning · Computer Science 2023-10-30 Patrick J. Lawrence , Xia Ning

Cancer, a leading cause of death globally, occurs due to genomic changes and manifests heterogeneously across patients. To advance research on personalized treatment strategies, the effectiveness of various drugs on cells derived from…

Machine Learning · Computer Science 2024-05-08 Kumar Shubham , Aishwarya Jayagopal , Syed Mohammed Danish , Prathosh AP , Vaibhav Rajan

Motivated by the size of cell line drug sensitivity data, researchers have been developing machine learning (ML) models for predicting drug response to advance cancer treatment. As drug sensitivity studies continue generating data, a common…

Understanding the phenotypic drug response on cancer cell lines plays a vital rule in anti-cancer drug discovery and re-purposing. The Genomics of Drug Sensitivity in Cancer (GDSC) database provides open data for researchers in phenotypic…

Quantitative Methods · Quantitative Biology 2019-01-01 Pengfei Liu

Motivation : Molecular signatures for diagnosis or prognosis estimated from large-scale gene expression data often lack robustness and stability, rendering their biological interpretation challenging. Increasing the signature's…

Machine Learning · Statistics 2010-01-19 Anne-Claire Haury , Laurent Jacob , Jean-Philippe Vert

Hematoxylin- and eosin (H&E) stained whole-slide images (WSIs) are the foundation of diagnosis of cancer. In recent years, development of deep learning-based methods in computational pathology enabled the prediction of biomarkers directly…

Pharmaceutical companies continue to seek innovative ways to explore whether a drug under development is likely to be suitable for all or only an identifiable stratum of patients in the target population. The sooner this can be done during…

Methodology · Statistics 2019-12-10 Thomas O. Jemielita , Devan V. Mehrotra

The concept of personalised medicine in cancer therapy is becoming increasingly important. There already exist drugs administered specifically for patients with tumours presenting well-defined mutations. However, the field is still in its…

Biomolecules · Quantitative Biology 2024-08-26 Abbi Abdel-Rehim , Oghenejokpeme Orhobor , Gareth Griffiths , Larisa Soldatova , Ross D. King

Multiplex and multi-directional control of metabolic pathways is crucial for metabolic engineering to improve product yield of fuels, chemicals, and pharmaceuticals. To achieve this goal, artificial transcriptional regulators such as…

Biomolecules · Quantitative Biology 2017-04-12 Jiayuan Sheng , Weihua Guo , Christine Ash , Brendan Freitas , Mitchell Paoletti , Xueyang Feng

The prediction of pancreatic ductal adenocarcinoma therapy response is a clinically challenging and important task in this high-mortality tumour entity. The training of neural networks able to tackle this challenge is impeded by a lack of…

Image and Video Processing · Electrical Eng. & Systems 2023-03-31 Alexander Ziller , Ayhan Can Erdur , Friederike Jungmann , Daniel Rueckert , Rickmer Braren , Georgios Kaissis

In drug discovery, it is vital to confirm the predictions of pharmaceutical properties from computational models using costly wet-lab experiments. Hence, obtaining reliable uncertainty estimates is crucial for prioritizing drug molecules…

Machine Learning · Computer Science 2023-10-19 Siddhartha Laghuvarapu , Zhen Lin , Jimeng Sun

Recently, there has been a resurgence of interest in rigorous algorithms for the inference of cancer progression from genomic data. The motivations are manifold: (i) growing NGS and single cell data from cancer patients, (ii) need for novel…

Machine Learning · Computer Science 2016-02-25 Daniele Ramazzotti

Precision medicine promises to transform health care by offering individualised treatments that dramatically improve clinical outcomes. A necessary prerequisite is to identify subgroups of patients who respond differently to different…

Machine Learning · Computer Science 2026-03-03 Adam Marcus , Paul Agapow

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our…