Publications

@article{MM.vazquezsalazar.jctc:2021,

title = {Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Predictions of Tautomerization Energies},

author = {L. I. Vázquez-Salazar and E. D. Boittier and O. T. Unke and M. Meuwly},

url = {arXiv:2104.06099},

year  = {2021},

date = {2021-05-31},

urldate = {2021-05-31},

journal = {J. Chem. Theo. Comput.},

volume = {17},

pages = {3687},

keywords = {machine learning, Quantum Chemistry, Tautomerization Energies},

pubstate = {published},

tppubtype = {article}

}