JRgui: A Python Program of Joback and Reid Method
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 underlying algorithm...
Saved in:
| Published in: | ACS omega Vol. 2; no. 12; pp. 8682 - 8688 |
|---|---|
| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
American Chemical Society
31.12.2017
|
| ISSN: | 2470-1343, 2470-1343 |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!