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SmartGraph API: Programmatic Knowledge Mining in Network-Pharmacology Setting

delete2024-12-04
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PRE
AI
G
Gergely Zahoránszky-Köhalmi *
B
Brandon Walker
N
Nathan Miller
B
Brett Yang
D
Dhatri V. L. Penna
J
Jessica Maine
T
Timothy Sheils
K
Ke Will Wang
J
Jennifer King
H
Hythem Sidky
S
Sridhar Vuyyuru
J
Jeyaraman Soundarajan
M
Michael D. Samuel
A
Alexander G. Godfrey
T
Tudor I. Oprea
DOI:10.1021/acs.jcim.4c00789delete
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Abstract

Abstract

En 中文
The recent SmartGraph platform facilitates the execution of complex drug-discovery workflows with ease in the network-pharmacology paradigm. However, at the time of its publication we identified the need for the development of an Application Programming Interface (API) that could promote biomedical data integration and hypothesis generation in an automated manner. This need was magnified at the time of the COVID-19 pandemic. This study addresses the absence of such an API. Accordingly, most functionalities of the original platform were implemented within the SmartGraph API. We demonstrate that by using the API it is possible to transform the original semiautomated workflow behind the Neo4COVID19 database to a fully automated one. The availability of the SmartGraph API lends a significant improvement to the programmatic integration of network-pharmacology-oriented knowledge graphs and analytics, as well as predictive functionalities and workflows.

Journal

Journal of Chemical Information and Modeling cover
Journal of Chemical Information and Modeling
IF:
5.3
Papers:
9.1K
Citations:
4.0W

Organization

N
national institutes of health (nih) - usa
Scholars:
10.3W
Papers: 8.2W
Citations: 111
U
university of new mexico
Scholars:
1.6W
Papers: 1.3W
Citations: 25
Cited Papers

Cited Papers

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PubChem's BioAssay Database
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errWang, Yanli; Xiao, Jewen; Suzek, Tugba O.; Zhang, Jian; Wang, Jiyao; Zhou, Zhigang; Han, Lianyi; Karapetyan, Karen; Dracheva, Svetlana; Shoemaker, Benjamin A.; Bolton, Evan; Gindulyte, Asta; Bryant, Stephen H.
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The HUGO Gene Nomenclature Committee (HGNC)
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errZahoranszky-Kohalmi, Gergely; Siramshetty, Vishal B.; Kumar, Praveen; Gurumurthy, Manideep; Grillo, Busola; Mathew, Biju; Metaxatos, Dimitrios; Backus, Mark; Mierzwa, Tim; Simon, Reid; Grishagin, Ivan; Brovold, Laura; Mathe, Ewy A.; Hall, Matthew D.; Michael, Samuel G.; Godfrey, Alexander G.; Mestres, Jordi; Jensen, Lars J.; Oprea, Tudor, I
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