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The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS
BACKGROUND: Melting point (MP) is an important property in regards to the solubility of chemical compounds. Its prediction from chemical structure remains a highly challenging task for quantitative structure–activity relationship studies. Success in this area of research critically depends on the av...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4724158/ https://www.ncbi.nlm.nih.gov/pubmed/26807157 http://dx.doi.org/10.1186/s13321-016-0113-y |