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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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VAE

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4 results in Keywords: VAE

Theoretical and Computational Chemistry

Embedded machine-readable molecular representation for more resource-efficient deep learning applications

Emilio Nuñez-Andrade, Isaac Vidal-Daza, James Ryan, Rafael Gomez-Bombarelli, Francisco J. Martin-Martinez

Version 1 posted 07 August 2024

309

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Theoretical and Computational Chemistry

Fuzz testing molecular representation using deep variational anomaly generation

Victor H. R. Nogueira, Rishabh Sharma, Rafael V. C. Guido, Michael J. Keiser

Version 1 posted 11 July 2024

161

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Theoretical and Computational Chemistry

Giving Attention to Generative VAE Models for De Novo Molecular Design

Orion Dollar, Nisarg Joshi, David A. C. Beck, Jim Pfaendtner

Version 1 posted 08 February 2021

1,300

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Biological and Medicinal Chemistry

Conditional 𝛽-VAE for De Novo Molecular Generation

Ryan Richards, Austen Groener

Version 1 posted 02 May 2022

1,359

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6

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