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Inorganic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Link Prediction

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3 results in Keywords: Link Prediction

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

663

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Inorganic Chemistry

Cocrystal Prediction by Artificial Neural Networks

Jan-Joris Devogelaer, Hugo Meekes, Paul Tinnemans, Elias Vlieg, Rene de Gelder

Version 2 posted 24 June 2020

1,153

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Inorganic Chemistry

Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction

Jan-Joris Devogelaer, Maxime D. Charpentier, Arnoud Tijink, Valérie Dupray, Gérard Coquerel, Karen Johnston, Hugo Meekes, Paul Tinnemans, Elias Vlieg, Joop H. ter Horst, Rene de Gelder

Version 2 posted 19 February 2021

585

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