molz · PyPI

Molecular analysis tool

Project description

Statistical analysis tool to help identify molecular fragments that promote, or detract from, target properties.

Sepecifically, this tool calculates the “z-scores” of molecular substructures in a given sub-population of a database to identify fragments that are over- or under-represented in this sub-population relative to a reference population. These substructures can either be specified by the user, or automatically generated using Morgan fingerprints.

Project details

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This version

0.1.2

Dec 14, 2020

0.1.1

Dec 9, 2020

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molz-0.1.2.tar.gz (6.6 kB view hashes)

Uploaded Dec 14, 2020 Source

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molz-0.1.2-py3-none-any.whl (6.4 kB view hashes)

Uploaded Dec 14, 2020 Python 3

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