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6 results in Keywords: Knowledge graph

Theoretical and Computational Chemistry

Expanding the chemical space using a Chemical Reaction Knowledge Graph

Emma Rydholm, Tomas Bastys, Emma Svensson, Christos Kannas, Ola Engkvist, Thierry Kogej

Version 1 posted 25 August 2023

592

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Interoperable nanosafety data using semantic modeling and linked data knowledge graphs

Ammar Ammar, Chris Evelo, Egon Willighagen

Version 1 posted 25 October 2024

68

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Organic Chemistry

Efficient Constitution of a Library of Rotenoid Analogs Active against Trypanosoma cruzi from a Digitalized Plant Extract Collection

Arnaud Gaudry, Laurence Marcourt, Marcel Kaiser, Julien Flückiger, Bruno David, Antonio Grondin, Jean-Robert Ioset, Pascal Mäser, Emerson Ferreira Queiroz, Pierre-Marie Allard, Jean-Luc Wolfender

Version 3 posted 24 October 2024

185

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Biological and Medicinal Chemistry

COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

Daniel Korn, Tesia Bobrowski, Michael Li, Yaphet Kebede, Patrick Wang, Phillips Owen, Gaurav Vaidya, Eugene Muratov, Rada Chirkova, Cristopher Bizon, Alexander Tropsha

Version 1 posted 18 June 2020

822

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Theoretical and Computational Chemistry

Chemical Reaction Network Knowledge Graphs: the OntoRXN Ontology

Diego Garay-Ruiz, Carles Bo

Version 1 posted 18 March 2022

267

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Theoretical and Computational Chemistry

Prioritization of Novel Anti-infective Stilbene derivatives by Combining Metabolomic Data Organization and a Stringent 3R-infection Model in a Knowledge Graph

Olivier Auguste Kirchhoffer, Luis Quiros-Guerrero, Jahn Nitschke, Louis-Félix Nothias, Frédéric Burdet, Laurence Marcourt, Nabil Hanna, Florence Mehl, Bruno David, Antonio Grondin, Emerson Ferreira Queiroz, Marco Pagni, Thierry Soldati, Jean-Luc Wolfender

Version 1 posted 30 July 2024

214

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