https://github.com/nbehrnd/regiosqm
A quick prediction of selectivities for the electrophilic substitution of homo- & heteroaromatic systems (Kromann et al., 2018ChemSci660 (http://dx.doi.org/10.1039/C7SC04156J) now ported to Python3.
https://github.com/nbehrnd/regiosqm
computational-chemistry openbabel python python27 python38 rdkit synthesis
Last synced: 8 months ago
JSON representation
A quick prediction of selectivities for the electrophilic substitution of homo- & heteroaromatic systems (Kromann et al., 2018ChemSci660 (http://dx.doi.org/10.1039/C7SC04156J) now ported to Python3.
- Host: GitHub
- URL: https://github.com/nbehrnd/regiosqm
- Owner: nbehrnd
- License: mit
- Fork: true (jensengroup/RegioSQM)
- Created: 2020-07-08T14:50:03.000Z (almost 6 years ago)
- Default Branch: master
- Last Pushed: 2023-09-04T12:00:31.000Z (almost 3 years ago)
- Last Synced: 2024-09-28T16:40:57.442Z (over 1 year ago)
- Topics: computational-chemistry, openbabel, python, python27, python38, rdkit, synthesis
- Language: Python
- Homepage: http://regiosqm.org
- Size: 9.78 MB
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0