Guillermo Marcos-Ayuso

9PUBLICATIONS
15CO-AUTHORS
Biomolecular modelling and designMain group metal chemistryOrganometallic chemistry
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Publications (9)

|Sep 14, 2026
PockLigGPT: Pocket-Sequence-Conditioned Molecular Generation with GPTs and RL.

|Jan 07, 2026
MolOrgGPT: De Novo Generation via Large Language Models and Reinforcement Learning.

Pablo Varas Pardo, Oscar Toledano, Guillermo Marcos-Ayuso

|May 03, 2025
AI-Driven De Novo Design and Development of Nontoxic DYRK1A Inhibitors.

Eduardo González García, Pablo Varas, Pedro González-Naranjo

|Feb 02, 2023
Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.

Sara Fernández-Moyano, Guillermo Marcos-Ayuso, Marconi N Peñas-Defrutos

|Feb 17, 2022
Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes.

Jaime Ponce-de-León, Guillermo Marcos-Ayuso, Juan A Casares

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