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Cellular response to a perturbation is the result of a dynamic system of biological variables linked in a complex network. A major challenge in drug and disease studies is identifying the key factors of a biological network that are…

Applications · Statistics 2014-09-02 Lisa M. Pham , Luis Carvalho , Scott Schaus , Eric D. Kolaczyk

Motivation: Computational prediction of multiple-type drug-drug interaction (DDI) helps reduce unexpected side effects in poly-drug treatments. Although existing computational approaches achieve inspiring results, they ignore that the…

Machine Learning · Computer Science 2021-12-07 Hui Yu , ShiYu Zhao , JianYu Shi

The application of the network approach to the urban case poses several questions in terms of how to deal with metric distances, what kind of graph representation to use, what kind of measures to investigate, how to deepen the correlation…

Other Condensed Matter · Physics 2007-05-23 Sergio Porta , Paolo Crucitti , Vito Latora

Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…

Machine Learning · Computer Science 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

Different network models have been suggested for the topology underlying complex interactions in natural systems. These models are aimed at replicating specific statistical features encountered in real-world networks. However, it is rarely…

Physics and Society · Physics 2012-06-11 Stefano Cardanobile , Volker Pernice , Moritz Deger , Stefan Rotter

We study treatment effect modifiers for causal analysis in a social network, where neighbors' characteristics or network structure may affect the outcome of a unit, and the goal is to identify sub-populations with varying treatment effects…

Social and Information Networks · Computer Science 2021-11-09 Amir Gilad , Harsh Parikh , Sudeepa Roy , Babak Salimi

Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs…

Machine Learning · Computer Science 2019-10-09 Tengfei Ma , Junyuan Shang , Cao Xiao , Jimeng Sun

Based on a large dataset containing thousands of real-world networks ranging from genetic, protein interaction, and metabolic networks to brain, language, ecology, and social networks we search for defining structural measures of the…

Machine Learning · Computer Science 2021-06-22 Máté Józsa , Alpár S. Lázár , Zsolt I. Lázár

Dysregulation in signal transduction pathways can lead to a variety of complex disorders, including cancer. Computational approaches such as network analysis are important tools to understand system dynamics as well as to identify critical…

Molecular Networks · Quantitative Biology 2015-11-12 Bhanwar Lal Puniya , Laura Allen , Colleen Hochfelder , Mahbubul Majumder , Tomáš Helikar

A critical task in systems biology is the identification of genes that interact to control cellular processes by transcriptional activation of a set of target genes. Many methods have been developed to use statistical correlations in…

Quantitative Methods · Quantitative Biology 2010-11-24 Adam A. Margolin , Kai Wang , Andrea Califano , Ilya Nemenman

Design of experiments and estimation of treatment effects in large-scale networks, in the presence of strong interference, is a challenging and important problem. Most existing methods' performance deteriorates as the density of the network…

Methodology · Statistics 2020-12-15 Preetam Nandy , Kinjal Basu , Shaunak Chatterjee , Ye Tu

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

Complex network approach has become an effective way to describe interrelationships among large amounts of biological data, which is especially useful in finding core functions and global behavior of biological systems. Hypertension is a…

Molecular Networks · Quantitative Biology 2016-01-29 Huan Wang , Jing-Bo Hu , Chuan-Yun Xu , De-Hai Zhang , Qian Yan , Ming Xu , Ke-Fei Cao , Xu-Sheng Zhang

Networks are a fundamental model of complex systems throughout the sciences, and network datasets are typically analyzed through lower-order connectivity patterns described at the level of individual nodes and edges. However, higher-order…

Social and Information Networks · Computer Science 2018-02-21 Austin R. Benson

The networking field has recently started to incorporate artificial intelligence (AI), machine learning (ML), big data analytics combined with advances in networking (such as software-defined networks, network functions virtualization, and…

Computers and Society · Computer Science 2018-04-10 Touseef Yaqoob , Muhammad Usama , Junaid Qadir , Gareth Tyson

Estimating heterogeneous treatment effect is an important task in causal inference with wide application fields. It has also attracted increasing attention from machine learning community in recent years. In this work, we reinterpret the…

Methodology · Statistics 2018-10-26 Ran Chen , Hanzhong Liu

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Networks represent relationships between entities in many complex systems, spanning from online social interactions to biological cell development and brain connectivity. In many cases, relationships between entities are unambiguously…

Social and Information Networks · Computer Science 2018-01-23 Ivan Brugere , Brian Gallagher , Tanya Y. Berger-Wolf

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse drug reactions with significant implications for patient safety and healthcare outcomes. While graph-based methods have achieved strong…

Machine Learning · Computer Science 2025-07-15 Mengjie Chen , Ming Zhang , Cunquan Qu

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

Quantitative Methods · Quantitative Biology 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng