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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...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | ACS Omega |
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| Κύριοι συγγραφείς: | , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
American Chemical Society
2019
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| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6648924/ https://ncbi.nlm.nih.gov/pubmed/31459378 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b03390 |
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