most citedData Augmentation of Spectral Data for Convolutional Neural Network (CNN) Based Deep Chemometrics

138 citations · 186 across the 3 of their papers we have counts for

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cs.LG2017★ 138 cited

Data Augmentation of Spectral Data for Convolutional Neural Network (CNN) Based Deep Chemometrics

Esben Jannik Bjerrum, Mads Glahder, Thomas Skov

Deep learning methods are used on spectroscopic data to predict drug content in tablets from near infrared (NIR) spectra. Using convolutional neural networks (CNNs), features are e…

cs.LG2017★ 47 cited

Molecular Generation with Recurrent Neural Networks (RNNs)

Esben Jannik Bjerrum, Richard Threlfall

The potential number of drug like small molecules is estimated to be between 10^23 and 10^60 while current databases of known compounds are orders of magnitude smaller with approxi…