Böttcher Score calculator
BöttchScore is a web-based service that calculateS molecular complexity as defined by Thomas Böttcher (J.Chem.Inf.Mod. 2016), and can evaluate complexity changes in retrosynthetic analysis or target perturbation (J. Am. Chem. Soc. 2018).
Code
The service is based on the command-line Python version, which is built using OpenBabel. To download the latest version of the offline code please check the GitHub repository. Please report any issues in the BottchScore GitHub issue page.
Cite
If you use it in your research, please cite the following papers:
• Demoret, R. et al. (JACS 2020)
• Böttcher, T. (JChemInf 2016)
DISCLAIMER: We do not store any data information from the usage of the service, images are temporarily cached for visualization purposes only, then they are automatically deleted.
NO GUARANTEE IS PROVIDED ON DATA PROTECTION. USE AT YOUR OWN RISK
The service was setup with the invaluable help of Ludovic Autin