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Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts have been made to model the effect of drug response on…

Machine Learning · Computer Science 2022-07-12 Jie Gao , Jing Hu , Wanqing Sun , Yili Shen , Xiaonan Zhang , Xiaomin Fang , Fan Wang , Guodong Zhao

Personalized drug response has received public awareness in recent years. How to combine gene test result and drug sensitivity records is regarded as essential in the real-world implementation. Research articles are good sources to train…

Social and Information Networks · Computer Science 2019-06-20 Shiyin Wang

We present an applied study in cancer genomics for integrating data and inferences from laboratory experiments on cancer cell lines with observational data obtained from human breast cancer studies. The biological focus is on improving…

Applications · Statistics 2010-10-07 Daniel Merl , Julia Ling-Yu Chen , Jen-Tsan Chi , Mike West

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

Quantitative Methods · Quantitative Biology 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Detecting predictive biomarkers from multi-omics data is important for precision medicine, to improve diagnostics of complex diseases and for better treatments. This needs substantial experimental efforts that are made difficult by the…

Quantitative Methods · Quantitative Biology 2021-06-08 Betül Güvenç Paltun , Samuel Kaski , Hiroshi Mamitsuka

Gene selection in high-dimensional genomic data is essential for understanding disease mechanisms and improving therapeutic outcomes. Traditional feature selection methods effectively identify predictive genes but often ignore complex…

Machine Learning · Computer Science 2025-06-02 Ehtesamul Azim , Dongjie Wang , Tae Hyun Hwang , Yanjie Fu , Wei Zhang

With the advancement of high-throughput biotechnologies, we increasingly accumulate biomedical data about diseases, especially cancer. There is a need for computational models and methods to sift through, integrate, and extract new…

Quantitative Methods · Quantitative Biology 2020-07-03 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Tumors bearing Ras mutations are notoriously difficult to treat. Drug combinations targeting the Ras protein or its pathway have also not met with success. Pathway drug cocktails, which are combinations aiming at parallel pathways, appear…

Molecular Networks · Quantitative Biology 2013-08-16 Ruth Nussinov , Chung-Jung Tsai , Carla Mattos

Cancer is one of the most common diseases worldwide, posing a serious threat to human health and leading to the deaths of a large number of people. It was observed during the drug administration in chemotherapy that immune cells, cancer…

Quantitative Methods · Quantitative Biology 2020-08-20 SeyedMehdi Abtahi , Mojtaba Sharifi

Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

Quantitative Methods · Quantitative Biology 2024-04-05 Yuanyuan Zhang , Yingdong Wang , Chaoyong Wu , Lingmin Zhana , Aoyi Wang , Caiping Cheng , Jinzhong Zhao , Wuxia Zhang , Jianxin Chen , Peng Li

Motivation: Analysis of relationships of drug structure to biological response is key to understanding off-target and unexpected drug effects, and for developing hypotheses on how to tailor drug thera-pies. New methods are required for…

Machine Learning · Statistics 2014-04-30 Suleiman A Khan , Seppo Virtanen , Olli P Kallioniemi , Krister Wennerberg , Antti Poso , Samuel Kaski

Somatic mutations, or alterations in DNA of a somatic cell, are key markers of cancer. In recent years, mutational signature analysis has become a prominent field of study within cancer research, commonly with Nonnegative Matrix…

Quantitative Methods · Quantitative Biology 2025-07-01 Iris Lang , Jenna Landy , Giovanni Parmigiani

Many kinase inhibitors have been approved as cancer therapies. Recently, libraries of kinase inhibitors have been extensively profiled, thus providing a map of the strength of action of each compound on a large number of its targets. These…

Quantitative Methods · Quantitative Biology 2014-07-29 Trish Tran , Edison Ong , Andrew P. Hodges , Giovanni Paternostro , Carlo Piermarocchi

Matrix factorization is a fundamental method in statistics and machine learning for inferring and summarizing structure in multivariate data. Modern data sets often come with "side information" of various forms (images, text, graphs) that…

Purpose: We propose a general framework for quantifying predictive uncertainties of dose-related quantities and leveraging this information in a dose mimicking problem in the context of automated radiation therapy treatment planning.…

Medical Physics · Physics 2021-09-08 Tianfang Zhang , Rasmus Bokrantz , Jimmy Olsson

Supervised matrix factorization (SMF) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. Our goal is to use SMF to learn…

Machine Learning · Statistics 2023-11-21 Joowon Lee , Hanbaek Lyu , Weixin Yao

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

Recent advances in cancer research largely rely on new developments in microscopic or molecular profiling techniques offering high level of detail with respect to either spatial or molecular features, but usually not both. Here, we present…

The objective of this research is to introduce a network specialized in predicting drugs that can be repurposed by investigating real-world evidence sources, such as clinical trials and biomedical literature. Specifically, it aims to…

Artificial Intelligence · Computer Science 2024-06-28 Ahmed Abdeen Hamed , Tamer E. Fandy