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.
Visit GitHub Wiki for more details.
Contact
- Author: maskot@chemsys.t.u-tokyo.ac.jp
- Maintainer: suecharo@g.ecc.u-tokyo.ac.jp
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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 |
