Author

Jordi Mestres

Universitat Pompeu FabraORCID 0000-0002-5202-4501Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1 Pharmacology & Toxicology· 1 Systems Biology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Approach:statistical model· 2 Research Focus:database / resource· 1 Approach:machine learning (classical)· 1

Frequent Co-Authors

Alexander G. GodfreyiD· 1 shared Aron Schulman· 1 shared Biju Mathew· 1 shared Busola Grillo· 1 shared Dimitrios Metaxatos· 1 shared Ewy A. MathéiD· 1 shared Gergely Zahoránszky-KöhalmiiD· 1 shared Huiyan YingiD· 1 shared

Activity by Year

2020-2025 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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1 shared paperSystems Biology

Alexander G. GodfreyORCID

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3 papers

Recent·Most cited

Off-target mapping enhances selectivity of machine learning-predicted CK2 inhibitors

Huiyan Ying, Weikaixin Kong, Aron Schulman, Nikola Panajotovikj, Mirva Pääkkönen, Tanisha Malpani, Ziaurrehman Tanoli, Otto Kauko, Jordi Mestres, Tero A. Aittokallio, Mitro Miihkinen

The paper develops an ML-powered drug discovery pipeline to design selective CK2 inhibitors with favorable off-target profiles, achieving a 90% hit-rate.

bioRxiv · Nov 12, 2025 · PreprintPharmacology & Toxicology

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research

Gergely Zahoránszky-Köhalmi, Vishal B. Siramshetty, Praveen Kumar, Manideep Gurumurthy, Busola Grillo, Biju Mathew, Dimitrios Metaxatos, Mark Backus, Tim Mierzwa, Reid Simon, Ivan V. Grishagin, Laura Brovold, Ewy A. Mathé, Matthew D. Hall, Samuel G. Michael, , Tudor Ionel Oprea

The paper presents a workflow for integrating diverse datasets to build a network pharmacology resource for COVID-19 research, resulting in a Neo4j graph database named Neo4COVID19.

Journal of Chemical Information and Modeling · Jan 20, 2022Peer-reviewedSystems Biology

The target landscape of N4-hydroxycytidine based on its chemical neighborhood

The paper identifies over 30 potential protein targets for N4-hydroxycytidine by analyzing its chemical neighborhood and using two prediction platforms.

bioRxiv · Mar 30, 2020 · PreprintBioinformatics