Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi. Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. Journal of Computational Chemistry, 42(29):2068-2078, 2021. [doi]
@article{TortorellaCSBCC21a,
title = {Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications},
author = {Sara Tortorella and Emanuele Carosati and Giulia Sorbi and Giovanni Bocci and Simon Cross and Gabriele Cruciani and Loriano Storchi},
year = {2021},
doi = {10.1002/jcc.26737},
url = {https://doi.org/10.1002/jcc.26737},
researchr = {https://researchr.org/publication/TortorellaCSBCC21a},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {42},
number = {29},
pages = {2068-2078},
}