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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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Detalles Bibliográficos
Autor principal: Shin, Hyun Kil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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

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