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Drug repositioning (DR) refers to identification of novel indications for the approved drugs. The requirement of huge investment of time as well as money and risk of failure in clinical trials have led to surge in interest in drug…

Computation and Language · Computer Science 2017-05-23 Sahil Manchanda , Ashish Anand

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

Learning accurate drug representations is essential for task such as computational drug repositioning. A drug hierarchy is a valuable source that encodes knowledge of relations among drugs in a tree-like structure where drugs that act on…

Biomolecules · Quantitative Biology 2022-08-15 Ke Yu , Shyam Visweswaran , Kayhan Batmanghelich

Computational methods in drug repositioning can help to conserve resources. In particular, methods based on biological networks are showing promise. Considering only the network topology and knowledge on drug target genes is not sufficient…

Molecular Networks · Quantitative Biology 2025-04-02 Atte Aalto , La Mi , Diego A. Blanco-Mora , Jorge Goncalves

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

Interpretability is crucial to enhance trust in machine learning models for medical diagnostics. However, most state-of-the-art image classifiers based on neural networks are not interpretable. As a result, clinicians often resort to known…

Interpretability of deep learning is widely used to evaluate the reliability of medical imaging models and reduce the risks of inaccurate patient recommendations. For models exceeding human performance, e.g. predicting RNA structure from…

Quantitative Methods · Quantitative Biology 2022-08-31 Mara Graziani , Niccolò Marini , Nicolas Deutschmann , Nikita Janakarajan , Henning Müller , María Rodríguez Martínez

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective…

Biomolecules · Quantitative Biology 2022-02-25 Ryan K. Tan , Yang Liu , Lei Xie

In this paper, we propose an explainable and interpretable diabetic retinopathy (ExplainDR) classification model based on neural-symbolic learning. To gain explainability, a highlevel symbolic representation should be considered in decision…

Machine Learning · Computer Science 2022-04-05 Se-In Jang , Michael J. A. Girard , Alexandre H. Thiery

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Machine Learning · Computer Science 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

We propose a novel and interpretable embedding method to represent the international statistical classification codes of diseases and related health problems (i.e., ICD codes). This method considers a self-attention mechanism within the…

Applications · Statistics 2019-06-14 Dixin Luo , Hongteng Xu , Lawrence Carin

Efficient representation of patients is very important in the healthcare domain and can help with many tasks such as medical risk prediction. Many existing methods, such as diagnostic Cost Groups (DCG), rely on expert knowledge to build…

Machine Learning · Computer Science 2019-09-17 Xianlong Zeng , Soheil Moosavinasab , En-Ju D Lin , Simon Lin , Razvan Bunescu , Chang Liu

Learning Interpretable representation in medical applications is becoming essential for adopting data-driven models into clinical practice. It has been recently shown that learning a disentangled feature representation is important for a…

Machine Learning · Computer Science 2019-04-19 Mhd Hasan Sarhan , Abouzar Eslami , Nassir Navab , Shadi Albarqouni

In this study, we present a novel clinical decision support system and discuss its interpretability-related properties. It combines a decision set of rules with a machine learning scheme to offer global and local interpretability. More…

Methodology · Statistics 2021-07-16 Francisco Valente , Simão Paredes , Jorge Henriques

There is a need of ensuring machine learning models that are interpretable. Higher interpretability of the model means easier comprehension and explanation of future predictions for end-users. Further, interpretable machine learning models…

Machine Learning · Computer Science 2020-08-17 Gregor Stiglic , Primoz Kocbek , Nino Fijacko , Marinka Zitnik , Katrien Verbert , Leona Cilar

In recent decades, traditional drug research and development have been facing challenges such as high cost, long timelines, and high risks. To address these issues, many computational approaches have been suggested for predicting the…

Quantitative Methods · Quantitative Biology 2023-09-13 Chunyan Ao , Zhichao Xiao , Lixin Guan , Liang Yu

Single neurons in neural networks are often interpretable in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A…

Machine Learning · Statistics 2023-10-19 David Klindt , Sophia Sanborn , Francisco Acosta , Frédéric Poitevin , Nina Miolane

We propose a representation learning framework for medical diagnosis domain. It is based on heterogeneous network-based model of diagnostic data as well as modified metapath2vec algorithm for learning latent node representation. We compare…

Machine Learning · Computer Science 2020-01-24 Karol Antczak

For mental disorders, patients' underlying mental states are non-observed latent constructs which have to be inferred from observed multi-domain measurements such as diagnostic symptoms and patient functioning scores. Additionally,…

Machine Learning · Computer Science 2020-11-03 Yuan Chen , Donglin Zeng , Tianchen Xu , Yuanjia Wang

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated…

Machine Learning · Computer Science 2022-06-02 Xinxing Yang , Genke Yang , Jian Chu
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