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Published in 2019 at "Molecular Informatics"
DOI: 10.1002/minf.201900095
Abstract: Machine learning approaches are widely used to evaluate ligand activities of chemical compounds toward potential target proteins. Especially, exploration of highly selective ligands is important for the development of new drugs with higher safety. One…
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Keywords:
convolution neural;
graph convolution;
exploration;
target ... See more keywords
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Published in 2020 at "IFAC-PapersOnLine"
DOI: 10.1016/j.ifacol.2020.12.1104
Abstract: Abstract This paper presents a methodology for the localization of leaks in water distribution networks (WDNs) by means of the combination of a deep learning (DL) approach and a graph-based clustering technique. A data set…
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Keywords:
based clustering;
distribution networks;
water distribution;
graph based ... See more keywords
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Published in 2021 at "Neurocomputing"
DOI: 10.1016/j.neucom.2021.08.028
Abstract: The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification,…
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Keywords:
representation;
learning graphs;
graphs using;
representation learning ... See more keywords
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Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00824
Abstract: Teratogenic drugs can lead to extreme fetal malformation and consequently critically influence the fetus's health, yet the teratogenic risks associated with most approved drugs are unknown. Here, we propose a novel predictive tool, embryoTox, which…
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Keywords:
based signatures;
using graph;
embryotox using;
graph based ... See more keywords
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Published in 2023 at "IEEE Internet of Things Journal"
DOI: 10.1109/jiot.2022.3188583
Abstract: Since the Internet of Things (IoT) is widely adopted using Android applications, detecting malicious Android apps is essential. In recent years, Android graph-based deep learning research has proposed many approaches to extract relationships from the…
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Keywords:
using graph;
malware;
android malware;
graph ... See more keywords
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Published in 2022 at "IT Professional"
DOI: 10.1109/mitp.2022.3157029
Abstract: Law enforcement, legal authorities, financial fraud, and financial investigators seek evidence of financial crimes, and graph technologies provide a unique opportunity to uncover financial criminals by reviewing all-inclusive entities involved, their relationships to identify suspicious…
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Keywords:
financial crime;
crime patterns;
investigate financial;
using graph ... See more keywords
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Published in 2021 at "IEEE Transactions on Knowledge and Data Engineering"
DOI: 10.1109/tkde.2019.2947478
Abstract: Many applications require identifying nodes that perform similar functions in a graph. For instance, identifying structurally equivalent nodes can provide insight into the structure of complex networks. Learning latent representations that capture such structural role…
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Keywords:
node representations;
structural node;
learning structural;
using graph ... See more keywords
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Published in 2022 at "IEEE Robotics and Automation Letters"
DOI: 10.48550/arxiv.2206.03190
Abstract: Perception of traversable regions and objects of interest from a 3D point cloud is one of the critical tasks in autonomous navigation. A ground vehicle needs to look for traversable terrains that are explorable by…
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Keywords:
using graph;
ground;
segmentation;
graph representation ... See more keywords