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Implementation of an AI-assisted fragment-generator in an open-source platform
We recently reported a deep learning model to facilitate fragment library design, which is critical for efficient hit identification. However, our model was implemented in Python. We have now created an implementation in the KNIME graphical pipelining environment which we hope will allow experimenta...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9579942/ https://www.ncbi.nlm.nih.gov/pubmed/36320432 http://dx.doi.org/10.1039/d2md00152g |