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In this work we present a deep learning approach to conduct hypothesis-free, transcriptomics-based matching of drugs for diseases. Our proposed neural network architecture is trained on approved drug-disease indications, taking as input the…

Genomics · Quantitative Biology 2023-03-22 Yannis Papanikolaou , Francesco Tuveri , Misa Ogura , Daniel O'Donovan

Recommendation Systems apply Information Retrieval techniques to select the online information relevant to a given user. Collaborative Filtering is currently most widely used approach to build Recommendation System. CF techniques uses the…

Information Retrieval · Computer Science 2015-03-26 Dheeraj kumar Bokde , Sheetal Girase , Debajyoti Mukhopadhyay

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia

Transcriptional profiling on microarrays to obtain gene expressions has been used to facilitate cancer diagnosis. We propose a deep generative machine learning architecture (called DeepCancer) that learn features from unlabeled microarray…

Artificial Intelligence · Computer Science 2016-12-14 Rajendra Rana Bhat , Vivek Viswanath , Xiaolin Li

In randomized dose-finding trials, although drug exposure data form a part of key information for dose selection, the evaluation of the dose-response (DR) relationship often mainly uses DR data. We examine the benefit of…

Methodology · Statistics 2025-08-07 Jixian Wang , Zhiwei Zhang , Ram Tiwari

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

Computational drug repositioning aims to discover new therapeutic diseases for marketed drugs and has the advantages of low cost, short development cycle, and high controllability compared to traditional drug development. The matrix…

Machine Learning · Computer Science 2021-11-30 Xinxing Yang , Genke Yangand Jian Chu

In the last years, tens of thousands gene expression profiles for cells of several organisms have been monitored. Gene expression is a complex transcriptional process where mRNA molecules are translated into proteins, which control most of…

Biomolecules · Quantitative Biology 2009-11-11 T. Ochiai , J. C. Nacher , T. Akutsu

With the recent availability of tissue-specific gene expression data, e.g., provided by the GTEx Consortium, there is interest in comparing gene co-expression patterns across tissues. One promising approach to this problem is to use a…

Molecular Networks · Quantitative Biology 2023-12-11 Madison Russell , Alber Aqil , Marie Saitou , Omer Gokcumen , Naoki Masuda

Identifying genes associated with complex human diseases is one of the main challenges of human genetics and computational medicine. To answer this question, millions of genetic variants get screened to identify a few of importance. To…

Genomics · Quantitative Biology 2015-09-01 Aziz M. Mezlini , Fabio Fuligni , Adam Shlien , Anna Goldenberg

Signaling pathways serve to communicate information about extracellular conditions into the cell, to both the nucleus and cytoplasmic processes to control cell responses. Genetic mutations in signaling network components are frequently…

Molecular Networks · Quantitative Biology 2021-06-15 Michael A. Kochen , Steven S. Andrews , H. Steven Wiley , Song Feng , Herbert M. Sauro

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

Machine Learning · Computer Science 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

Background: Predicting the efficacy of combination therapies is a critical challenge in clinical decision-making, particularly for diseases requiring multi-drug regimens. Traditional evidence synthesis methods, such as component network…

Quantitative Methods · Quantitative Biology 2025-03-31 Dipayan Sengupta , Saumya Panda

Recent advances in deep learning have accelerated its use in various applications, such as cellular image analysis and molecular discovery. In molecular discovery, a generative adversarial network (GAN), which comprises a discriminator to…

Machine Learning · Computer Science 2023-04-13 Daniel Manu , Jingjing Yao , Wuji Liu , Xiang Sun

Background: Selecting feature genes to predict phenotypes is one of the typical tasks in analyzing genomics data. Though many general-purpose algorithms were developed for prediction, dealing with highly correlated genes in the prediction…

Applications · Statistics 2022-04-11 Li Xing , Songwan Joun , Kurt Mackay , Mary Lesperance , Xuekui Zhang

Resistance to therapy remains a significant challenge in cancer treatment, often due to the presence of a stem-like cell population that drives tumor recurrence post-treatment. Moreover, many anticancer therapies induce plasticity,…

Populations and Evolution · Quantitative Biology 2024-12-25 Chenyu Wu , Einar Bjarki Gunnarsson , Jasmine Foo , Kevin Leder

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

With the rapid advances of microarray technologies, large amounts of high-dimensional gene expression data are being generated, which poses significant computational challenges. A first step towards addressing this challenge is the use of…

Computer Vision and Pattern Recognition · Computer Science 2013-02-14 P. K. Nizar Banu , H. Hannah Inbarani

Identification of genes that initiate cell anomalies and cause cancer in humans is among the important fields in the oncology researches. The mutation and development of anomalies in these genes are then transferred to other genes in the…

Molecular Networks · Quantitative Biology 2023-03-03 Mostafa Akhavan Safar , Babak Teimourpour , Abbas Nozari-Dalini
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