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...

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Detalles Bibliográficos
Autores principales: Tetko, Igor V., M. Lowe, Daniel, Williams, Antony J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Research Article
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

Internet

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

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