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Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

To curate a high-quality dataset, identifying data variance between the internal and external sources is a fundamental and crucial step. However, methods to detect shift or variance in data have not been significantly researched. Challenges…

Image and Video Processing · Electrical Eng. & Systems 2021-12-30 Xiaoyuan Guo , Judy Wawira Gichoya , Hari Trivedi , Saptarshi Purkayastha , Imon Banerjee

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

Quantitative Methods · Quantitative Biology 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

The majority of big data is unstructured and of this majority the largest chunk is text. While data mining techniques are well developed and standardized for structured, numerical data, the realm of unstructured data is still largely…

Artificial Intelligence · Computer Science 2015-06-24 Carlo A. Trugenberger

While randomized controlled trials (RCTs) are critical for establishing the efficacy of new therapies, there are limitations regarding what comparisons can be made directly from trial data. RCTs are limited to a small number of comparator…

The widespread application of Artificial Intelligence (AI) techniques has significantly influenced the development of new therapeutic agents. These computational methods can be used to design and predict the properties of generated…

Neural and Evolutionary Computing · Computer Science 2024-08-21 Arthur Cerveira , Frederico Kremer , Darling de Andrade Lourenço , Ulisses B Corrêa

Estimating the effect of treatments from natural experiments, where treatments are pre-assigned, is an important and well-studied problem. We introduce a novel natural experiment dataset obtained from an early childhood literacy nonprofit.…

Machine Learning · Statistics 2024-09-10 R. Teal Witter , Christopher Musco

The discovery of novel drug target (DT) interactions is an important step in the drug development process. The majority of computer techniques for predicting DT interactions have focused on binary classification, with the goal of…

Machine Learning · Computer Science 2023-03-22 Partho Ghosh , Md. Aynal Haque

We consider a setting in which we have a treatment and a large number of covariates for a set of observations, and wish to model their relationship with an outcome of interest. We propose a simple method for modeling interactions between…

Methodology · Statistics 2012-12-14 Lu Tian , Ash Alizadeh , Andrew Gentles , Robert Tibshirani

By thoroughly revisiting the classic human action recognition paradigm, this paper aims at proposing a new approach for the design of effective action classification systems. Taking as testbed publicly available three-dimensional (MoCap)…

Computer Vision and Pattern Recognition · Computer Science 2016-05-03 Andrea Zunino , Jacopo Cavazza , Vittorio Murino

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

Research data are often released upon journal publication to enable result verification and reproducibility. For that reason, research dissemination infrastructures typically support diverse datasets coming from numerous disciplines, from…

Digital Libraries · Computer Science 2023-05-29 Ana Trisovic

Healthcare data is a valuable resource for research, analysis, and decision-making in the medical field. However, healthcare data is often fragmented and distributed across various sources, making it challenging to combine and analyze…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-12 Mohammad Heydari , Reza Sarshar , Mohammad Ali Soltanshahi

Extracting relationships and interactions between different biological entities is still an extremely challenging problem but has not received much attention as much as extraction in other generic domains. In addition to the lack of…

Computation and Language · Computer Science 2020-06-02 Abhinav Bhatt , Kaustubh D. Dhole

Prediction of new drug-target interactions is extremely important as it can lead the researchers to find new uses for old drugs and to realize the therapeutic profiles or side effects thereof. However, experimental prediction of drug-target…

Computational Engineering, Finance, and Science · Computer Science 2017-07-05 Farshid Rayhan , Sajid Ahmed , Swakkhar Shatabda , Dewan Md Farid , Zaynab Mousavian , Abdollah Dehzangi , M Sohel Rahman

Large language models (LLMs) have enabled a range of applications in zero-shot and few-shot learning settings, including the generation of synthetic datasets for training and testing. However, to reliably use these synthetic datasets, it is…

Computation and Language · Computer Science 2024-09-19 Gaurav Maheshwari , Dmitry Ivanov , Kevin El Haddad

Engagement in virtual learning is essential for participant satisfaction, performance, and adherence, particularly in online education and virtual rehabilitation, where interactive communication plays a key role. Yet, accurately measuring…

Computer Vision and Pattern Recognition · Computer Science 2025-07-25 Ali Abedi , Sadaf Safa , Tracey J. F. Colella , Shehroz S. Khan

Randomized experiments are the gold standard for causal inference but face significant challenges in business applications, including limited traffic allocation, the need for heterogeneous treatment effect estimation, and the complexity of…

Methodology · Statistics 2025-08-18 Zhenkang Peng , Chengzhang Li , Ying Rong , Renyu Zhang

Modeling the interactions between drugs, targets, and diseases is paramount in drug discovery and has significant implications for precision medicine and personalized treatments. Current approaches frequently consider drug-target or…

Machine Learning · Computer Science 2023-12-04 Farhan Tanvir , Khaled Mohammed Saifuddin , Tanvir Hossain , Arunkumar Bagavathi , Esra Akbas

Clinical studies often require understanding elements of a patient's narrative that exist only in free text clinical notes. To transform notes into structured data for downstream use, these elements are commonly extracted and normalized to…

Computation and Language · Computer Science 2020-08-03 Monica Agrawal , Chloe O'Connell , Yasmin Fatemi , Ariel Levy , David Sontag
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