Author

Kirill Veselkov

Imperial College LondonORCID 0000-0002-1164-0359Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 1 Research Focus:database / resource· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:graph neural network· 1 Organism:human· 1 Approach:machine learning (classical)· 1 Assay:metagenomics· 1

Frequent Co-Authors

Aaron FaitiD· 1 shared Adolfo AmézquitaiD· 1 shared Aleksandr Alekseevich SmirnoviD· 1 shared Alexander A. AksenoviD· 1 shared Alexey V. MelnikiD· 1 shared Alisdair Robert FernieiD· 1 shared Amina BouslimaniiD· 1 shared Andrea G. Albarracín OrioiD· 1 shared

Activity by Year

2020-2025 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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1 shared paperBioinformatics

Aaron FaitORCID

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2 papers

Recent·Most cited

Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks

Guadalupe Gonzalez, Xiang Lin, Isuru S. Herath, Kirill Veselkov, Michael M. Bronstein, Marinka Žitnik

PDGrapher predicts combinatorial therapeutic targets to reverse disease phenotypes using a causally inspired GNN, outperforming existing methods in cell line and genetic perturbation datasets.

Nature Biomedical Engineering · Sep 9, 2025Peer-reviewedBioinformatics

Algorithmic Learning for Auto-deconvolution of GC-MS Data to Enable Molecular Networking within GNPS.

Alexander A. Aksenov, Ivan Laponogov, Zheng Zhang, Sophie L. F. Doran, Ilaria Belluomo, Dennis A. Veselkov, Wout Bittremieux, Louis-Félix Nothias-Scaglia, Mélissa Nothias-Esposito, Katherine N. Maloney, Biswapriya B. Misra, Alexey V. Melnik, Aleksandr Alekseevich Smirnov, Xiuxia Du, Kenneth Lyons Jones, , Kirill Veselkov

The paper develops a machine learning workflow for auto-deconvolution of GC-MS data within GNPS, enabling molecular networking and applications in breathomics and volatilome mapping.

Nature Biotechnology · Nov 9, 2020Peer-reviewedBioinformatics