KCF-Convoy: efficient Python package to convert KCF chemical substructure fingerprints
KCF-Convoy is a new Python package to generate KCF formats and KCF-S fingerprints from Molfile, SDF, SMILES and InChI seamlessly.
Obtained KCF-S were applied to a series of machine learning binary classification methods to distinguish herbicides from other pes- ticides, and also to find characteristic substructures in a specific genus.
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|Filename, size & hash SHA256 hash help||File type||Python version||Upload date|
|kcfconvoy-0.0.4-py3-none-any.whl (20.5 kB) Copy SHA256 hash SHA256||Wheel||py3||Oct 15, 2018|
|kcfconvoy-0.0.4.tar.gz (6.2 MB) Copy SHA256 hash SHA256||Source||None||Oct 15, 2018|