Author: "Choi, Insung S." / Topic: aqueous solubility and deep learning - Searchworks@Jio Institute Digital Library Search Results

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Start Over Author "Choi, Insung S." Topic aqueous solubility Topic deep learning

Author: Cho, Hyeoncheol and Choi, Insung S.
Subjects: *DEEP learning, *GRAPH algorithms, *MACHINE learning, *SOLUBILITY, *SATURATION vapor pressure, *CHEMICAL systems
Abstract: Highlights from the article: $H^{"("l + 1")"} = ReLU "("\hat{A} H^{"("l")"} W^{"("l")"}")"$ ${\tilde{D}}_{ii} =_{j} {\tilde{A}}_{ij}$ After confirming the reasonable performance of our GCN model, we deleted each one from the 12 atom features and trained the feature-deleted models with the same protocol as before in order to understand the contribution of individual atom features to the aqueous solubility.
Published: 2019
Full Text: View/download PDF

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