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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(3)

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Working Paper

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transformer model

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4 results in Keywords: transformer model

Theoretical and Computational Chemistry

Can We Quickly Learn to “Translate” Bioactive Molecules with Transformer Models?

Emma Tysinger, Brajesh Rai, Anton Sinitskiy

Version 1 posted 19 December 2022

428

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Theoretical and Computational Chemistry

Transformer-CNN: Fast and Reliable Tool for QSAR

Pavel Karpov, Guillaume Godin, Igor Tetko

Version 1 posted 21 October 2019

897

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1

Citations

Biological and Medicinal Chemistry

Prediction of Drug Metabolites Using Neural Machine Translation

Eleni Litsa, Payel Das, Lydia Kavraki

Version 1 posted 20 May 2020

487

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Theoretical and Computational Chemistry

Reproducing the invention of a named reaction: zero-shot prediction of unseen chemical reactions

An Su, Ling Wang, Xinqiao Wang, Chengyun Zhang, Yejian Wu, Hongliang Duan

Version 2 posted 23 June 2021

676

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