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Molecule fragmentation,Cheminformatics,RDKit,Property prediction,Group contribution method,UNIFAC,Incrementation
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https://doi.org/10.1186/s13321-019-0382-3
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Journal of Cheminformatics, https://doi.org/10.1186/s13321-019-0382-3
Molecule fragmentation
Cheminformatics
RDKit
Property prediction
Group contribution method
UNIFAC
Incrementation
Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model
Simon Müller
10.1186/s13321-019-0382-3
2010-04-23
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