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Theoretical and Computational Chemistry

CHEESE: 3D Shape and Electrostatic Virtual Screening in a Vector Space

Miroslav Lžičař, Hamza Gamouh

Version 1 posted 05 November 2024

558

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Biological and Medicinal Chemistry

A Probabilistic Molecular Fingerprint for Big Data Settings

Daniel Probst, Jean-Louis Reymond

Version 1 posted 09 October 2018

1,131

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Theoretical and Computational Chemistry

Using Domain-specific Fingerprints Generated Through Neural Networks to Enhance Ligand-based Virtual Screening.

Janosch Menke, Oliver Koch

Version 1 posted 31 August 2020

821

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1

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