Učitavanje...
Application of Generative Autoencoder in De Novo Molecular Design
A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investigate the potential use of autoencoder, a deep learning methodology, for de novo molecular design. Various generative auto...
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| Izdano u: | Mol Inform |
|---|---|
| Glavni autori: | , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
John Wiley and Sons Inc.
2017
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5836887/ https://ncbi.nlm.nih.gov/pubmed/29235269 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201700123 |
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