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Analytical Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Designer drugs

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2 results in Keywords: Designer drugs

Analytical Chemistry

A Deep Generative Model Enables Automated Structure Elucidation of Novel Psychoactive Substances

Michael Skinnider, Fei Wang, Daniel Pasin, Russell Greiner, Leonard Foster, Petur Dalsgaard, David S. Wishart

Version 1 posted 24 May 2021

3,687

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Theoretical and Computational Chemistry

Filter feature selection for unsupervised clustering of designer drugs using DFT simulated IR spectra data

Version 1 posted 07 September 2021

222

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