Author

Vanessa López

IBM (Ireland)ORCID 0000-0002-0674-5324Unclaimed 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:software / tool· 2 Approach:benchmark study· 1 Research Focus:benchmarking· 1 Approach:machine learning (classical)· 1 Assay:proteomics· 1 Approach:statistical model· 1

Frequent Co-Authors

Denis C. ShieldsiD· 2 shared Raúl Fernández-DíaziD· 2 shared Clement AgoniiD· 1 shared Hoang Thanh Lam· 1 shared Rodrigo Cossio-PéreziD· 1 shared Thanh Lam Hoang· 1 shared

Activity by Year

2024-2024 · peak 2/yr

Co-Author Collaboration Network

6 top collaborators · 12 mutual co-author links

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2 shared papersBioinformatics

Denis C. ShieldsORCID

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2 papers

Recent·Most cited

BioinformaticsBioinformaticsPeer-reviewedSep 1, 2024

AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors

Raúl Fernández-Díaz, Rodrigo Cossio-Pérez, Clement Agoni…·Denis C. Shields

This paper develops AutoPeptideML, an AutoML tool for peptide bioactivity prediction, showing that automated methods can improve model trustworthiness and efficiency.

34 citationstop 3%

proteomicsmachine learning (classical)

𝕏 PostBluesky

BioinformaticsbioRxivPreprintMar 14, 2024

A new framework for evaluating model out-of-distribution for the biochemical domain

Raúl Fernández-Díaz, Denis C. Shields, Thanh Lam Hoang, Vanessa López

The paper introduces a new metric, AU-GOOD, to evaluate model performance on out-of-distribution data in biochemistry, with applications to small molecule and protein property prediction.

5 citations

statistical modelbenchmarking

𝕏 PostBluesky