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Ruben Sanchez-Garcia

2 results in Authors: Ruben Sanchez-Garcia

Biological and Medicinal Chemistry

Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology

Matteo P. Ferla, Rubén Sánchez-García, Rachael E. Skyner, Stefan Gahbauer, Jenny C. Taylor, Frank von Delft, Brian D. Marsden, Charlotte M. Deane

Version 1 posted 26 February 2024

985

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Theoretical and Computational Chemistry

CoPriNet: Graph Neural Networks provide accurate and rapid compound price prediction for molecule prioritisation.

Ruben Sanchez-Garcia, Dávid Havasi, Gergely Takács, Matthew C. Robinson, Alpha Lee, Frank von Delft, Charlotte M. Deane

Version 6 posted 31 October 2022

1,215

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