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How Accurately Can We Predict the Melting Points of Drug-like Compounds?
[Image: see text] This article contributes a highly accurate model for predicting the melting points (MPs) of medicinal chemistry compounds. The model was developed using the largest published data set, comprising more than 47k compounds. The distributions of MPs in drug-like and drug lead sets show...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702524/ https://www.ncbi.nlm.nih.gov/pubmed/25489863 http://dx.doi.org/10.1021/ci5005288 |