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Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method
[Image: see text] Chemical optimization of organic compounds produces a series of analogues. In addition to considering an analogue series (AS) or multiple series on a case-by-case basis, which is often done in the practice of chemistry, the extraction of analogues from compound repositories is of h...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648924/ https://www.ncbi.nlm.nih.gov/pubmed/31459378 http://dx.doi.org/10.1021/acsomega.8b03390 |