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2 results in Keywords: 3D

Theoretical and Computational Chemistry

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

David Buterez, Jon Paul Janet, Steven Kiddle, Dino Oglic, Pietro Liò

Version 3 posted 19 January 2024

1,797

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Theoretical and Computational Chemistry

Click, Zoom, Explore: Interactive 3D (i-3D) Figures in Standard Manuscript PDFs

Sourav Chatterjee, Sooyeon Moon, Amanda Rowlands, Fred Chin, Peter H. Seeberger, Nabyl Merbouh, Kerry Gilmore

Version 1 posted 12 February 2019

1,963

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