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Biological and Medicinal Chemistry

(3)

Theoretical and Computational Chemistry

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locality sensitive hashing

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3 results in Keywords: locality sensitive hashing

Biological and Medicinal Chemistry

A Probabilistic Molecular Fingerprint for Big Data Settings

Daniel Probst, Jean-Louis Reymond

Version 1 posted 09 October 2018

1,227

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Biological and Medicinal Chemistry

Splitting chemical structure data sets for federated privacy-preserving machine learning

Jaak Simm, Lina Humbeck, Adam Zalewski, Noe Sturm, Wouter Heyndrickx, Yves Moreau, Bernd Beck, Ansgar Schuffenhauer

Version 3 posted 15 November 2021

787

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Biological and Medicinal Chemistry

One Molecular Fingerprint to Rule them All: Drugs, Biomolecules, and the Metabolome

Alice Capecchi, Daniel Probst, Jean-Louis Reymond

Version 1 posted 19 March 2020

1,256

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