Showing results 1 to 4 of 4
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification Ryu, Seongok; Kwon, Yongchan; Kim, Woo Youn, CHEMICAL SCIENCE, v.10, no.36, pp.8438 - 8446, 2019-09 |
Enhanced Deep-Learning Prediction of Molecular Properties via Augmentation of Bond Topology Cho, Hyeoncheol; Choi, Insung S., CHEMMEDCHEM, v.14, no.17, pp.1604 - 1609, 2019-09 |
High-throughput screening of identity, enantiomeric excess, and concentration using MLCT transitions in CD spectroscopy Nieto, Sonia; Lynch, Vincent M.; Anslyn, Eric V.; Kim, Hyunwoo; Chin, Jik, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.130, no.29, pp.9232 - 9232, 2008-07 |
Rapid Enantiomeric Excess and Concentration Determination Using Simple Racemic Metal Complexes Nieto, Sonia; Lynch, Vincent M.; Anslyn, Eric V.; Kim, Hyunwoo; Chin, Jik, ORGANIC LETTERS, v.10, no.22, pp.5167 - 5170, 2008-11 |
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