3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks
D. Kuzminykh, D. Polykovskiy, A. Kadurin, A. Zhebrak, I. Baskov, S.I. Nikolenko, R. Shayakhmetov, A. Zhavoronkov
Molecular Pharmaceutics · pp. 4378–4385 · 2018
@article{kuzminykh2018_594,
author = {Kuzminykh, Denis and Polykovskiy, Daniil and Kadurin, Artur and Zhebrak, Alexander and Baskov, Ivan and Nikolenko, Sergey I. and Shayakhmetov, Rim and Zhavoronkov, Alex},
title = {{3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks}},
year = {2018},
journal = {Molecular Pharmaceutics},
pages = {4378--4385},
doi = {10.1021/acs.molpharmaceut.7b01134},
url = {https://doi.org/10.1021/acs.molpharmaceut.7b01134}
}