A chemical analysis of lipophilicities & molecule drawings including ML

Overview

A chemical analysis of lipophilicity & molecule drawings including a bit of ML analysis.


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This is a simple project that includes two Jupyter files (one about lipophilicity & the other about drawing structures) with a few data files like this. An analysis of lipophilicity & molecule drawings are shown through simple chemistry projects that looks at lipophilicity of drug molecules through ML and molecule drawings through RDKit.

Project of a chemical analysis implementing machine learning is almost finished.

Public

The folder includes logo while additional files removed through to save space.

License

LICENSE

Owner
Aurimas A. Nausėdas
Developer, Data Engineer, and a graduate of The University of Edinburgh. Passionate about creating things.
Aurimas A. Nausėdas
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