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Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
Computer Assisted Synthesis Planning (CASP) has gained considerable interest as of late. Herein we investigate a template-based retrosynthetic planning tool, trained on a variety of datasets consisting of up to 17.5 million reactions. We demonstrate that models trained on datasets such as internal E...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7012039/ https://www.ncbi.nlm.nih.gov/pubmed/32110367 http://dx.doi.org/10.1039/c9sc04944d |