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Biological and Medicinal Chemistry

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4 results in Keywords: SMILES strings

Chemical Engineering and Industrial Chemistry

Retrosynthesis Prediction using Grammar-based Neural Machine Translation: An Information-Theoretic Approach

Vipul Mann, Venkat Venkatasubramanian

Version 2 posted 26 August 2021

773

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Theoretical and Computational Chemistry

SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

Version 1 posted 21 January 2020

2,143

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2

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Biological and Medicinal Chemistry

Data-Driven Drug Repurposing for COVID-19

Raghvendra Mall, Abdurrahman Elbasir, Hossam Al Meer, Sanjay Chawla, Ehsan Ullah

Version 1 posted 16 July 2020

679

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1

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Theoretical and Computational Chemistry

STOUT: SMILES to IUPAC Names Using Neural Machine Translation

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Version 2 posted 23 March 2021

2,277

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