Hydrolysis reaction rate estimation from chemical structure
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Jun 24, 2026 - Jupyter Notebook
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hydrolysis
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Estimation of rate constant parameters for the acid/base attack of aspirin. Post-graduate work for Dr. Desmond Williams at University of South Australia.
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Apr 15, 2019 - R
Toy model depicting the nucleophilic substitution of an organic phosphate and water with (oxygen) isotopic effects
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Aug 20, 2026 - Python
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