Published September 1, 2020
| Version 1.0
Dataset
Open
Chemical group definitions for the component-contribution method
Description
Data files containing group definitions (based on SMARTS) for the component-contribution method.
Files
group_definitions.csv
Files
(15.4 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:f3ff7921bf344285be8f330a67619729
|
9.6 kB | Preview Download |
|
md5:c3279061cfba3b2370350744e84bbad1
|
5.8 kB | Preview Download |
Additional details
Related works
- Cites
- Journal article: 10.1371/journal.pcbi.1003098 (DOI)
- Journal article: 10.1093/nar/gkr874 (DOI)
- Is source of
- Software: http://equilibrator.weizmann.ac.il/ (URL)