Henry E. Webel, Talia B. Kimber, Silke Radetzki, Martin Neuenschwander, Marc Nazaré, Andrea Volkamer. Revealing cytotoxic substructures in molecules using deep learning. Journal of Computer-Aided Molecular Design, 34(7):731-746, 2020. [doi]
@article{WebelKRNNV20,
title = {Revealing cytotoxic substructures in molecules using deep learning},
author = {Henry E. Webel and Talia B. Kimber and Silke Radetzki and Martin Neuenschwander and Marc Nazaré and Andrea Volkamer},
year = {2020},
doi = {10.1007/s10822-020-00310-4},
url = {https://doi.org/10.1007/s10822-020-00310-4},
researchr = {https://researchr.org/publication/WebelKRNNV20},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {34},
number = {7},
pages = {731-746},
}