13321_2019_384_MOESM5_ESM.xlsx (1.21 MB)
MOESM5 of Open-source QSAR models for pKa prediction using multiple machine learning approaches
dataset
posted on 2019-09-19, 04:09 authored by Kamel Mansouri, Neal Cariello, Alexandru Korotcov, Valery Tkachenko, Chris Grulke, Catherine Sprankle, David Allen, Warren Casey, Nicole Kleinstreuer, Antony WilliamsAdditional file 5. Predictions of ACD/Labs, ChemAxon and the three models on the benchmark data.
