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Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective
A matched molecular pair (MMP) analysis was used to examine the change in melting point (MP) between pairs of similar molecules in a set of ∼275k compounds. We found many cases in which the change in MP (ΔMP) of compounds correlates with changes in functional groups. In line with the results of a pr...
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| Publicat a: | ChemMedChem |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
John Wiley and Sons Inc.
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5900986/ https://ncbi.nlm.nih.gov/pubmed/28650584 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201700303 |
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