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Flexible Dual-Branched Message-Passing Neural Network for a Molecular Property Prediction
[Image: see text] A molecule is a complex of heterogeneous components, and the spatial arrangements of these components determine the whole molecular properties and characteristics. With the advent of deep learning in computational chemistry, several studies have focused on how to predict molecular...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8829939/ https://www.ncbi.nlm.nih.gov/pubmed/35155916 http://dx.doi.org/10.1021/acsomega.1c05877 |