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Theoretical and Computational Chemistry

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Over 3 years

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Kedan He

2 results in Authors: Kedan He

Theoretical and Computational Chemistry

Catch the next designer drug: A comparison of methods for predicting in vitro pharmacological profiles using molecular fingerprints

Version 1 posted 12 July 2021

191

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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

216

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