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Topological Distance-Based Electron Interaction Tensor to Apply a Convolutional Neural Network on Drug-like Compounds
[Image: see text] Deep learning (DL) models in quantitative structure–activity relationship fed the molecular structure directly to the network without using human-designed descriptors by representing molecule as a graph or string (e.g., SMILES code). However, these two representations were oversimp...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8717557/ https://www.ncbi.nlm.nih.gov/pubmed/34984306 http://dx.doi.org/10.1021/acsomega.1c05693 |