Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams. Open-source QSAR models for pKa prediction using multiple machine learning approaches. J. Cheminformatics, 11(1), 2019. [doi]
@article{MansouriCKTGSAC19,
title = {Open-source QSAR models for pKa prediction using multiple machine learning approaches},
author = {Kamel Mansouri and Neal F. Cariello and Alexandru Korotcov and Valery Tkachenko and Christopher M. Grulke and Catherine S. Sprankle and David G. Allen and Warren M. Casey and Nicole C. Kleinstreuer and Antony J. Williams},
year = {2019},
doi = {10.1186/s13321-019-0384-1},
url = {https://doi.org/10.1186/s13321-019-0384-1},
researchr = {https://researchr.org/publication/MansouriCKTGSAC19},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {11},
number = {1},
}