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KCF-Convoy: efficient Python package to convert KCF chemical substructure fingerprints

Project description

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

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