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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Mario Astigarraga

3 results in Authors: Mario Astigarraga

Theoretical and Computational Chemistry

How Do Microbial Metabolites Interact with Their Protein Targets?

Mario Astigarraga, Andrés Sánchez-Ruiz, Aminata Diop-Aw, Raquel Quintero, Gonzalo Colmenarejo

Version 1 posted 15 October 2024

152

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Theoretical and Computational Chemistry

Conformal Prediction-based Machine Learning in Cheminformatics: Current Applications and New Challenges

Mario Astigarraga, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 29 January 2025

267

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Theoretical and Computational Chemistry

How Do Food Compounds Interact with Their Protein Targets? Alternative Approaches for Protein Binding

Mario Astigarraga, Verónica López-Alejandre, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 20 February 2025

67

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