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One of the notable fields in studying the genetics of cancer is disease gene identification which affects disease treatment and drug discovery. Many researches have been done in this field. Genome-wide association studies (GWAS) are one of…

Computational Engineering, Finance, and Science · Computer Science 2016-04-27 Zahra Razaghi-Moghadama , Razieh Abdollahia , Sama Goliaeib , Morteza Ebrahimia

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

Tensor decomposition is an effective tool for learning multi-way structures and heterogeneous features from high-dimensional data, such as the multi-view images and multichannel electroencephalography (EEG) signals, are often represented by…

Machine Learning · Computer Science 2022-06-29 Wanguang Yin , Youzhi Qu , Zhengming Ma , Quanying Liu

Identification of plant disease is usually done through visual inspection or during laboratory examination which causes delays resulting in yield loss by the time identification is complete. On the other hand, complex deep learning models…

Computer Vision and Pattern Recognition · Computer Science 2021-02-10 Nisar Ahmed , Hafiz Muhammad Shahzad Asif , Gulshan Saleem

In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investigated chemical compounds, but in cases the details of the…

Machine Learning · Statistics 2020-09-16 Martijn Oldenhof , Adam Arany , Yves Moreau , Jaak Simm

The characterization of drug-protein interactions is crucial in the high-throughput screening for drug discovery. The deep learning-based approaches have attracted attention because they can predict drug-protein interactions without…

Machine Learning · Computer Science 2020-12-22 QHwan Kim , Joon-Hyuk Ko , Sunghoon Kim , Nojun Park , Wonho Jhe

Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the…

Programming Languages · Computer Science 2023-12-29 Gaurav Verma , Siddhisanket Raskar , Zhen Xie , Abid M Malik , Murali Emani , Barbara Chapman

De novo molecular design has facilitated the exploration of large chemical space to accelerate drug discovery. Structure-based de novo method can overcome the data scarcity of active ligands by incorporating drug-target interaction into…

Biomolecules · Quantitative Biology 2022-09-16 Yaqin Li , Lingli Li , Yongjin Xu , Yi Yu

Drug recommendation assists doctors in prescribing personalized medications to patients based on their health conditions. Existing drug recommendation solutions adopt the supervised multi-label classification setup and only work with…

Machine Learning · Computer Science 2022-10-12 Zhenbang Wu , Huaxiu Yao , Zhe Su , David M Liebovitz , Lucas M Glass , James Zou , Chelsea Finn , Jimeng Sun

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

Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success…

Machine Learning · Computer Science 2024-11-27 Xiangxin Zhou , Jiaqi Guan , Yijia Zhang , Xingang Peng , Liang Wang , Jianzhu Ma

It remains a challenging task to generate a vast variety of novel compounds with desirable pharmacological properties. In this work, a generative network complex (GNC) is proposed as a new platform for designing novel compounds, predicting…

Biomolecules · Quantitative Biology 2019-11-01 Christopher Grow , Kaifu Gao , Duc Duy Nguyen , Guo-Wei Wei

Estimating the needs of healthcare products and inventory management are still challenging issues in hospitals nowadays. Centers are supposed to cope with tight budgets and patient satisfaction at the same time. Some issues can be tackled…

Computers and Society · Computer Science 2021-09-27 Denis Koala , Zakaria Yahouni , Gülgün Alpan , Yannick Frein

Control theory has seen recently impactful applications in network science, especially in connections with applications in network medicine. A key topic of research is that of finding minimal external interventions that offer control over…

Molecular Networks · Quantitative Biology 2020-07-10 Victor-Bogdan Popescu , Krishna Kanhaiya , Iulian Năstac , Eugen Czeizler , Ion Petre

A tensor network is a type of decomposition used to express and approximate large arrays of data. A given data-set, quantum state or higher dimensional multi-linear map is factored and approximated by a composition of smaller multi-linear…

Quantum Physics · Physics 2022-07-08 Richik Sengupta , Soumik Adhikary , Ivan Oseledets , Jacob Biamonte

Personalized medicine is expected to maximize the intended drug effects and minimize side effects by treating patients based on their genetic profiles. Thus, it is important to generate drugs based on the genetic profiles of diseases,…

Machine Learning · Computer Science 2021-12-17 Sejin Park , Hyunju Lee

Motivation: Modelling methods that find structure in data are necessary with the current large volumes of genomic data, and there have been various efforts to find subsets of genes exhibiting consistent patterns over subsets of treatments.…

Machine Learning · Computer Science 2016-09-15 Kerstin Bunte , Eemeli Leppäaho , Inka Saarinen , Samuel Kaski

Identifying disease-associated genes enables the development of precision medicine and the understanding of biological processes. Genome-wide association studies (GWAS), gene expression data, biological pathway analysis, and protein network…

Genomics · Quantitative Biology 2026-03-10 Muhammad Muneeb , David B. Ascher , YooChan Myung

Drug Side-Effects (DSEs) have a high impact on public health, care system costs, and drug discovery processes. Predicting the probability of side-effects, before their occurrence, is fundamental to reduce this impact, in particular on drug…

Quantitative Methods · Quantitative Biology 2022-02-17 Pietro Bongini , Franco Scarselli , Monica Bianchini , Giovanna Maria Dimitri , Niccolò Pancino , Pietro Liò

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…