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Theoretical and Computational Chemistry

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Fanny Bonachera

2 results in Authors: Fanny Bonachera

Theoretical and Computational Chemistry

NP Navigator: a New Look at the Natural Product Chemical Space

Yuliana Zabolotna, Peter Ertl, Dragos Horvath, Fanny Bonachera, Gilles Marcou, Alexandre Varnek

Version 1 posted 19 March 2021

490

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1

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Theoretical and Computational Chemistry

Inverse QSAR: reversing descriptor-driven prediction pipeline using attention-based conditional variational autoencoder (ACoVAE)

William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachera, Arkadii Lin, Gilles Marcou, Igor Baskin, Timur Madzhidov, Alexandre Varnek

Version 1 posted 26 August 2022

447

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