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Python script that implements a random forest algorithm to predict several ADME-Tox classifications of bioactive molecules accompanied with a visualization technique called Uniform Manifold Approximation Projection (UMAP) [1]. This work is an amalgamation of previous great work by fellow researchers [2-5] with an extension towards our own research on predicting molecular ion fragmentation by a mass spectrometer (MS). In particular, we investigated the impact of different molecular encodings on the algorithm's prediction accuracy, sensitivity and specificity.
MATLAB scripts to simulate anti-fouling control of plug-flow crystallization via heating and cooling cycle as described in https://doi.org/10.1016/j.ifacol.2015.08.180 and https://doi.org/10.1109/LLS.2017.2661981
MATLAB scripts to determine the robustness of quantum control systems as described in 10.1103/PhysRevA.90.043414
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