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Theoretical and Computational Chemistry

Working Paper

Updated Prediction of Aggregators and Assay Interfering Substructures in Food Compounds

Andres Sanchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 25 November 2021

262

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Biological and Medicinal Chemistry

Working Paper

A Systematic Analysis and Prediction of the Target Space of Bioactive Food Compounds: Filling the Chemobiological Gaps

Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 15 July 2022

194

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Theoretical and Computational Chemistry

Working Paper

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

122

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Theoretical and Computational Chemistry

Working Paper

Identifying and Filling the Chemobiological Gaps of Gut Microbial Metabolites

Cristian Orgaz, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 12 June 2024

148

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Biological and Medicinal Chemistry

Working Paper

Analysis of Metabolites in Human Gut: Illuminating the Design of Gut-Targeted Drugs

Alberto Gil-Pichardo, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 2 posted 21 August 2023

370

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Theoretical and Computational Chemistry

Review

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

226

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Theoretical and Computational Chemistry

Working Paper

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

47

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7 results in Andrés Sánchez-Ruiz in Authors: Andrés Sánchez-Ruiz

Updated Prediction of Aggregators and Assay Interfering Substructures in Food Compounds

A Systematic Analysis and Prediction of the Target Space of Bioactive Food Compounds: Filling the Chemobiological Gaps

How Do Microbial Metabolites Interact with Their Protein Targets?

Identifying and Filling the Chemobiological Gaps of Gut Microbial Metabolites

Analysis of Metabolites in Human Gut: Illuminating the Design of Gut-Targeted Drugs

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

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

7 results in Authors: Andrés Sánchez-Ruiz