2 papers
cs.LG2023
How False Data Affects Machine Learning Models in Electrochemistry?
Krittapong Deshsorna, Luckhana Lawtrakul, Pawin Iamprasertkun
Recently, the selection of machine learning model based on only the data distribution without concerning the noise of the data. This study aims to distinguish, which models perform…
cond-mat.mtrl-sci2019
Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins
Tom Ichibha, Ornin Srihakulung, Guo Chao +4
We calculated the docking energies between plumbagin and cyclodextrins, using density functional theory (DFT) with several functionals and some semi-empirical methods. Our DFT resu…