Author

Vladimir Chupin

Moscow Institute of Physics and TechnologyORCID 0000-0001-9253-1156Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1

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Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1 Approach:machine learning (classical)· 1 Research Focus:software / tool· 1

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Maria KadukovaiD· 1 shared Sergei GrudininiD· 1 shared

Activity by Year

2021-2021 · peak 1/yr

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1 shared paperBioinformatics

Maria KadukovaORCID

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1 paper

Recent·Most cited

BioinformaticsbioRxivPreprintSep 13, 2021

Convex-PLR - Revisiting affinity predictions and virtual screening using physics-informed machine learning

Maria Kadukova, Vladimir Chupin, Sergei Grudinin

The paper introduces Convex-PLR, a physics-informed machine learning model for virtual screening that improves scoring function performance and interpretability.

DOI 10.1101/2021.09.13.460049

machine learning (classical)drug response / drug discovery

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