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Andrey Samokhin

6PUBLICATIONS

3CO-AUTHORS

Programming languagesMedical biochemistry - inorganic elements and compoundsMedical biochemistry - proteins and peptides (incl. medical proteomics)Formal methods for softwareCheminformatics and quantitative structure-activity relationships

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Publications (6)

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|Nov 25, 2025

High-Throughput Mass Spectral Library Searching of Small Molecules in R with NIST MSPepSearch.

Andrey Samokhin, Mikhail Khrisanfov

|Nov 18, 2024

The Identity Algorithm: How the Most Popular Electron Ionization Mass Spectral Library Search Engine Actually Works.

Andrey Samokhin

|Nov 21, 2022

How searching against multiple libraries can lead to biased results in GC/MS-based metabolomics.

Andrey S Samokhin, Dmitriy D Matyushin

|Jul 28, 2022

Multivariate Prognostic Model for Predicting the Outcome of Critically Ill Patients Using the Aromatic Metabolites Detected by Gas Chromatography-Mass Spectrometry.

Alisa K Pautova, Andrey S Samokhin, Natalia V Beloborodova

|Mar 10, 2022

A general procedure for rounding m/z values in low-resolution mass spectra.

Mikhail Khrisanfov, Andrey Samokhin

|Jun 11, 2019

Predicting the absence of an unknown compound in a mass spectral database.

Andrey Samokhin, Ksenia Sotnezova, Igor Revelsky

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Frequent Collaborators

2 joint publications

Mikhail Khrisanfov

1 joint publications

Alisa K Pautova

1 joint publications

Natalia V Beloborodova

Frequent Collaborators

2 joint publications

Mikhail Khrisanfov

1 joint publications

Alisa K Pautova

1 joint publications

Natalia V Beloborodova

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