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Distributed Representation of Chemical Fragments
[Image: see text] This article describes an unsupervised machine learning method for computing distributed vector representation of molecular fragments. These vectors encode fragment features in a continuous high-dimensional space and enable similarity computation between individual fragments, even...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044751/ https://www.ncbi.nlm.nih.gov/pubmed/30023852 http://dx.doi.org/10.1021/acsomega.7b02045 |