Raquel Rodríguez-Pérez

11PUBLICATIONS
14CO-AUTHORS
Biomolecular modelling and designDeep learningContext learningPharmacogenomicsProcess control and simulation
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Publications (11)

|Sep 02, 2026
Multi-objective optimization in the context of generative chemistry.

|Jan 14, 2026
Uncertainty Quantification in Molecular Machine Learning for Property Predictions under Data Shifts.

Raquel Parrondo-Pizarro, Jessica Lanini, Raquel Rodríguez-Pérez

|Sep 11, 2025
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery.

Jeremy R Ash, Cas Wognum, Raquel Rodríguez-Pérez

|Nov 14, 2024
UNIQUE: A Framework for Uncertainty Quantification Benchmarking.

Jessica Lanini, Minh Tam Davide Huynh, Gaetano Scebba

|Nov 06, 2024
DeepCt: Predicting Pharmacokinetic Concentration-Time Curves and Compartmental Models from Chemical Structure Using Deep Learning.

Maximilian Beckers, Dimitar Yonchev, Sandrine Desrayaud

|Jul 09, 2024
Application of machine learning models for property prediction to targeted protein degraders.

Giulia Peteani, Minh Tam Davide Huynh, Grégori Gerebtzoff

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Frequent Collaborators

3 joint publications

Nadine Schneider

2 joint publications

Jessica Lanini

1 joint publications

Richard Lewis

1 joint publications

Mike Fortunato