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...

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Detalles Bibliográficos
Autores principales: Tetko, Igor V., Sushko, Yurii, Novotarskyi, Sergii, Patiny, Luc, Kondratov, Ivan, Petrenko, Alexander E., Charochkina, Larisa, Asiri, Abdullah M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702524/
https://www.ncbi.nlm.nih.gov/pubmed/25489863
http://dx.doi.org/10.1021/ci5005288

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