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JRgui: A Python Program of Joback and Reid Method

[Image: see text] Using the modern object-oriented programing language Python (e.g., tkinter and pandas modules) and a chemoinformatics open-source library (RDKit), the classic Joback and Reid group contribution method was revisited and written into a graphical user interface program, JRgui. The und...

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Detalles Bibliográficos
Autores principales: Shi, Chenyang, Borchardt, Thomas B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645593/
https://www.ncbi.nlm.nih.gov/pubmed/31457399
http://dx.doi.org/10.1021/acsomega.7b01464