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Rocio Mercado
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Data Science och AI (DSAI 1)-
Retrosynformer: planning multi-step chemical synthesis routes via a decision
transformer
Emma Granqvist, Rocio Mercado, Samuel Genheden
DIGITAL DISCOVERY - 2026 -
PROTAC-Splitter: a machine learning framework for automated identification of PROTAC
substructures
Stefano Ribes, Ranxuan Zhang, Télio Cropsal, Anders Källberg, Christian Tyrchan, Eva Nittinger, Rocio Mercado
JOURNAL OF CHEMINFORMATICS - 2026 -
Predicting PROTAC-mediated ternary complexes with AlphaFold3 and
Boltz-1
Nils Dunlop, Francisco Erazo, Farzaneh Jalalypour, Rocio Mercado
DIGITAL DISCOVERY - 2025 -
Prediction of Permeability and Efflux Using Multitask
Learning
Philip Ivers Ohlsson, Gian Marco Ghiandoni, Susanne Winiwarter, Rocio Mercado, Vigneshwari Subramanian
ACS OMEGA - 2025 -
LAGOM: A transformer-based chemical language model for drug metabolite
prediction
Sofia Larsson, Miranda Carlsson, Richard Beckmann, Filip Miljkovic, Rocio Mercado
ARTIFICIAL INTELLIGENCE IN THE LIFE SCIENCES - 2025 -
Modeling PROTAC degradation activity with machine
learning
Stefano Ribes, Eva Nittinger, Christian Tyrchan, Rocio Mercado
Artificial Intelligence in the Life Sciences - 2024 -
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep
Retrosynthesis
Annie M. Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocio Mercado, Samuel Genheden
Journal of Chemical Information and Modeling - 2024