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Predicting the response of cancer cells to drugs is an important problem in pharmacogenomics. Recent efforts in generation of large scale datasets profiling gene expression and drug sensitivity in cell lines have provided a unique…

Quantitative Methods · Quantitative Biology 2018-11-01 Cheng Qian , Nicholas D. Sidiropoulos , Magda Amiridi , Amin Emad

Identifying altered pathways that are associated with specific cancer types can potentially bring a significant impact on cancer patient treatment. Accurate identification of such key altered pathways information can be used to develop…

Machine Learning · Statistics 2017-12-05 Sunho Park , Tae Hyun Hwang

Exploratory cancer drug studies test multiple tumor cell lines against multiple candidate drugs. The goal in each paired (cell line, drug) experiment is to map out the dose-response curve of the cell line as the dose level of the drug…

Machine Learning · Statistics 2021-03-23 Wesley Tansey , Christopher Tosh , David M. Blei

Chemotherapeutic response of cancer cells to a given compound is one of the most fundamental information one requires to design anti-cancer drugs. Recent advances in producing large drug screens against cancer cell lines provided an…

Genomics · Quantitative Biology 2018-07-17 Mehmet Tan , Ozan Fırat Özgül , Batuhan Bardak , Işıksu Ekşioğlu , Suna Sabuncuoğlu

The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage…

Quantitative Methods · Quantitative Biology 2022-12-06 Bin Liu , Dimitrios Papadopoulos , Fragkiskos D. Malliaros , Grigorios Tsoumakas , Apostolos N. Papadopoulos

We introduce a novel Bayesian hybrid matrix factorisation model (HMF) for data integration, based on combining multiple matrix factorisation methods, that can be used for in- and out-of-matrix prediction of missing values. The model is very…

Machine Learning · Statistics 2017-04-18 Thomas Brouwer , Pietro Lió

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed…

Quantitative Methods · Quantitative Biology 2022-10-21 Stuti Jain , Emilie Chouzenoux , Kriti Kumar , Angshul Majumdar

Motivation: Combination therapies have been widely used to treat cancers. However, it is cost- and time-consuming to experimentally screen synergistic drug pairs due to the enormous number of possible drug combinations. Thus, computational…

Quantitative Methods · Quantitative Biology 2020-09-17 Zexuan Sun , Shujun Huang , Peiran Jiang , Pingzhao Hu

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

Large-scale {\it in vitro} drug sensitivity screens are an important tool in personalized oncology to predict the effectiveness of potential cancer drugs. The prediction of the sensitivity of cancer cell lines to a panel of drugs is a…

Methodology · Statistics 2020-03-10 Zhi Zhao , Manuela Zucknick

We extend kernelized matrix factorization with a fully Bayesian treatment and with an ability to work with multiple side information sources expressed as different kernels. Kernel functions have been introduced to matrix factorization to…

Machine Learning · Statistics 2013-05-10 Mehmet Gönen , Suleiman A. Khan , Samuel Kaski

For most problems in science and engineering we can obtain data sets that describe the observed system from various perspectives and record the behavior of its individual components. Heterogeneous data sets can be collectively mined by data…

Machine Learning · Computer Science 2015-02-09 Marinka Žitnik , Blaž Zupan

The accurate prediction of drug responses remains a formidable challenge, particularly at the single-cell level and in clinical treatment contexts. Some studies employ transfer learning techniques to predict drug responses in individual…

Machine Learning · Computer Science 2025-06-03 Ran Song , Yinpu Bai , Hui Liu

Precision cancer medicine aims to determine the optimal treatment for each patient. In-vitro cancer drug sensitivity screens combined with multi-omics characterization of the cancer cells have become an important tool to achieve this aim.…

Methodology · Statistics 2024-03-14 Zhi Zhao , Marco Banterle , Alex Lewin , Manuela Zucknick

The vast amount of biological knowledge accumulated over the years has allowed researchers to identify various biochemical interactions and define different families of pathways. There is an increased interest in identifying pathways and…

Applications · Statistics 2011-11-24 Francesco C. Stingo , Yian A. Chen , Mahlet G. Tadesse , Marina Vannucci

Predicting the novel effects of drugs based on information about approved drugs can be regarded as a recommendation system. Matrix factorization is one of the most used recommendation systems and various algorithms have been devised for it.…

Quantitative Methods · Quantitative Biology 2023-01-16 Iori Azuma , Tadahaya Mizuno , Hiroyuki Kusuhara

Computational drug repositioning aims to discover new uses of drugs that have been marketed. However, the existing models suffer from the following limitations. Firstly, in the real world, only a minority of diseases have definite treatment…

Computational Engineering, Finance, and Science · Computer Science 2023-01-18 Xinxing Yang , Genke Yang , Jian Chu

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Machine Learning · Computer Science 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

Predictive modeling based on genomic data has gained popularity in biomedical research and clinical practice by allowing researchers and clinicians to identify biomarkers and tailor treatment decisions more efficiently. Analysis…

Machine Learning · Statistics 2021-02-02 Li Zeng , Zhaolong Yu , Yiliang Zhang , Hongyu Zhao

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li
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