Wolfram Language

Improved Machine Learning

Cluster Molecules Based on Their Properties

Load acids from ChemicalData and extract their formulas and some properties.

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acids = Take[ChemicalData["Acids"], {3, 18}]
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properties = Outer[ChemicalData, acids, {"MolarMass", "MeltingPoint"}, 1]
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formulas = ChemicalData[#, "Formula"] & /@ acids
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Visualize the hierarchical cluster of the acids based on their properties.

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ClusteringTree[properties -> formulas]
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