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Analytical Chemistry

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Chemical Databases

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3 results in Keywords: Chemical Databases

Theoretical and Computational Chemistry

Exploring the GDB-13 Chemical Space Using Deep Generative Models

Josep Arús-Pous, Thomas Blaschke, Silas Ulander, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

Version 2 posted 19 October 2018

1,804

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Analytical Chemistry

Randomized SMILES Strings Improve the Quality of Molecular Generative Models

Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

Version 2 posted 30 July 2019

1,947

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1

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Organic Chemistry

Recent Advances in Stereochemistry Reveal Classification Shortcomings

Peter J. Canfield, Linda J. Govenlock, Jeffrey Reimers, Maxwell J. Crossley

Version 1 posted 18 June 2020

642

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1

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