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estimating-molecular-volume

A BSc dissertation project

A series of Jupyter notebooks outlining the progress and process.

Initially tried to replicate a formula found in a research paper, this proved unsuccesful due to ambiguity and contacting the author didn't result in a reply.

Thereafter we explored different supervised learning models and showed results via plots.

Finally these models were part of a simple Proof-of-Concept website built on the flask framework.

Note: the datasets used could not be uploaded due to size