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The managed-metabolism hypothesis suggests that a cooperation barrier must be overcome if self-producing chemical organizations are to transition from non-life to life. This barrier prevents un-managed, self-organizing, autocatalytic…

Populations and Evolution · Quantitative Biology 2018-08-06 John E. Stewart

Detecting hypernymy relations is a key task in NLP, which is addressed in the literature using two complementary approaches. Distributional methods, whose supervised variants are the current best performers, and path-based methods, which…

Computation and Language · Computer Science 2016-06-08 Vered Shwartz , Yoav Goldberg , Ido Dagan

The architecture of biological networks has been reported to exhibit high level of modularity, and to some extent, topological modules of networks overlap with known functional modules. However, how the modular topology of the molecular…

Molecular Networks · Quantitative Biology 2007-09-07 Jing Zhao , Guo-Hui Ding , Lin Tao , Hong Yu , Zhong-Hao Yu , Jian-Hua Luo , Zhi-Wei Cao , Yi-Xue Li

Retrieving targeted pathways in biological knowledge bases, particularly when incorporating wet-lab experimental data, remains a challenging task and often requires downstream analyses and specialized expertise. In this paper, we frame this…

Machine Learning · Computer Science 2026-04-14 Rikuto Kotoge , Ziwei Yang , Zheng Chen , Yushun Dong , Yasuko Matsubara , Jimeng Sun , Yasushi Sakurai

Recently, link prediction has attracted more attentions from various disciplines such as computer science, bioinformatics and economics. In this problem, unknown links between nodes are discovered based on numerous information such as…

Social and Information Networks · Computer Science 2018-07-30 Mohammad Mehdi Keikha , Maseud Rahgozar , Masoud Asadpour

Probabilistic biological network growth models have been utilized for many tasks including but not limited to capturing mechanism and dynamics of biological growth activities, null model representation, capturing anomalies, etc. Well-known…

Molecular Networks · Quantitative Biology 2024-01-02 Emre Sefer

The search for pathways that optimize the formation of a particular target molecule in a reaction network is a key problem in many settings, including reactor systems. Chemical reaction networks are mathematically well represented as…

Molecular Networks · Quantitative Biology 2025-06-17 Adittya Pal , Rolf Fagerberg , Jakob Lykke Andersen , Christoph Flamm , Peter Dittrich , Daniel Merkle

Tuberculosis is a deadly infectious disease prevalent around the world. Due to the lack of proper technology in place, the early detection of this disease is unattainable. Also, the available methods to detect Tuberculosis is not up-to a…

Computer Vision and Pattern Recognition · Computer Science 2019-02-26 Ram Srivatsav Ghorakavi

Understanding and predicting evolutionary accumulation pathways is a key objective in many fields of research, ranging from classical evolutionary biology to diverse applications in medicine. In this context, we are often confronted with…

Populations and Evolution · Quantitative Biology 2026-05-05 Jessica Renz , Morten Brun , Iain G. Johnston

Hematopoiesis is the process of blood cell formation, through which progenitor stem cells differentiate into mature forms, such as white and red blood cells or mature platelets. While the precursors of the mature forms share many regulatory…

We investigate the ability of algorithms developed for reverse engineering of transcriptional regulatory networks to reconstruct metabolic networks from high-throughput metabolite profiling data. For this, we generate synthetic metabolic…

Molecular Networks · Quantitative Biology 2007-11-19 Ilya Nemenman , G. Sean Escola , William S. Hlavacek , Pat J. Unkefer , Clifford J. Unkefer , Michael E. Wall

In cheminformatics, network representations of the space of compounds have been suggested extensively. Among these, the threshold-network consists of nodes representing molecules. In this network representation, two molecules are connected…

Molecular Networks · Quantitative Biology 2019-11-14 Mariko I. Ito , Takaaki Ohnishi

Spatial Transcriptomics (ST) merges the benefits of pathology images and gene expression, linking molecular profiles with tissue structure to analyze spot-level function comprehensively. Predicting gene expression from histology images is a…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Chen Zhang , Yilu An , Ying Chen , Hao Li , Xitong Ling , Lihao Liu , Junjun He , Yuxiang Lin , Zihui Wang , Rongshan Yu

We introduce HTAD, a novel model for diagnosis prediction using Electronic Health Records (EHR) represented as Heterogeneous Information Networks. Recent studies on modeling EHR have shown success in automatically learning representations…

Machine Learning · Computer Science 2019-12-24 Anahita Hosseini , Tyler Davis , Majid Sarrafzadeh

We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…

Computational Physics · Physics 2020-07-15 Davide Mandelli , Barak Hirshberg , Michele Parrinello

The Absorption, Distribution, Metabolism, Elimination, and Toxicity (ADMET) properties of drug candidates are estimated to account for up to 50% of all clinical trial failures. Predicting ADMET properties has therefore been of great…

Machine Learning · Computer Science 2019-03-29 Evan N. Feinberg , Robert Sheridan , Elizabeth Joshi , Vijay S. Pande , Alan C. Cheng

High-throughput metabolomics investigations, when conducted in large human cohorts, represent a potentially powerful tool for elucidating the biochemical diversity and mechanisms underlying human health and disease. Large-scale metabolomics…

Haplotype Inference is a challenging problem in bioinformatics that consists in inferring the basic genetic constitution of diploid organisms on the basis of their genotype. This information allows researchers to perform association studies…

Artificial Intelligence · Computer Science 2007-08-06 Luca Di Gaspero , Andrea Roli

There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…

Social and Information Networks · Computer Science 2019-11-05 Soheila Molaei , Hadi Zare , Hadi Veisi

In this paper, we develop a graphical modeling framework for the inference of networks across multiple sample groups and data types. In medical studies, this setting arises whenever a set of subjects, which may be heterogeneous due to…

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