138 citations · 186 across the 3 of their papers we have counts for
3 papers
q-bio.BM2017★ 1 cited
DeepIEP: a Peptide Sequence Model of Isoelectric Point (IEP/pI) using Recurrent Neural Networks (RNNs)
Esben Jannik Bjerrum
The isoelectric point (IEP or pI) is the pH where the net charge on the molecular ensemble of peptides and proteins is zero. This physical-chemical property is dependent on protona…
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…