Author

Eva Nittinger

AstraZeneca (Sweden)ORCID 0000-0001-7231-7996Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Approach:statistical model· 2 Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1

Frequent Co-Authors

Christian TyrchaniD· 2 shared Hongtao ZhaoiD· 2 shared Karolina KwapieńiD· 1 shared Magnus NilssoniD· 1 shared Melissa A. Yu· 1 shared Susanne BerglundiD· 1 shared Symon M. GathiakaiD· 1 shared W. Patrick WaltersiD· 1 shared

Activity by Year

2025-2025 · peak 2/yr

Co-Author Collaboration Network

9 top collaborators · 24 mutual co-author links

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2 shared papersBioinformatics

Christian TyrchanORCID

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2 papers

Recent·Most cited

BioinformaticsJournal of CheminformaticsPeer-reviewedOct 13, 2025

Enhanced Thompson Sampling by Roulette Wheel Selection for Screening Ultra-Large Combinatorial Libraries

Hongtao Zhao, Eva Nittinger, Melissa A. Yu…·Christian Tyrchan

The paper improves Thompson sampling for screening large chemical libraries by introducing a warmup routine and roulette wheel selection, achieving 100% recovery with 0.1% sampling.

6 citations

statistical modelbenchmarking

𝕏 PostBluesky

BioinformaticsJournal of Chemical Information and ModelingPeer-reviewedFeb 17, 2025

AI-Augmented R-Group Exploration in Medicinal Chemistry

Hongtao Zhao, Karolina Kwapień, Eva Nittinger…·Werngard Czechtizky

The paper develops an enhanced Free-Wilson QSAR model for R-group exploration using atom-centric pharmacophoric features, showing good predictivity across 12 datasets.

1 citation

statistical modeldrug response / drug discovery

𝕏 PostBluesky