Descriptors: molecular properties - Githubissues

lewisacidic / scikit-chem

A high level cheminformatics package for the Scientific Python stack, built on RDKit.

http://scikit-chem.readthedocs.io/en/latest/index.html

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Descriptors: molecular properties #72

Open lewisacidic opened 8 years ago

lewisacidic commented 8 years ago

[ ] molar refractivity
[ ] a log p
[ ] squared a log p
[ ] unsaturation count
[ ] unsaturation index
[ ] hydrophilic factor
[ ] mcgowan volume
For all:
[ ] implementation
[ ] mathematical formulation
[ ] example usage
[ ] reference
[ ] extensive tests