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Discovery of structure–property relations for molecules via hypothesis-driven active learning ...

Retrieved on: 2023-10-20 18:40:15

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Discovery of structure–property relations for molecules via hypothesis-driven active learning .... View article details on HISWAI: https://pubs.aip.org/aip/aml/article-split/1/4/046102/2917772/Discovery-of-structure-property-relations-for

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G. Karypis. , “. Heterogeneous molecular graph neural networks for predicting molecule properties. ,” in. 2020 IEEE International Conference on Data ...

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