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Interpretable Machine Learning in Guided Synthesis of Stable Sols Based on Nanosized Titanium Oxides
This report discusses the guided synthesis of sols containing nanosized titanium(IV) oxides for use in biological and medical applications. These sols vary in size (from ∼2 up to 2000nm) and different stability (from 0 up to 90 days). They are synthesized under changing fabrication conditions (temperature, hydrolysis duration, titanium-containing precursors composition and concentration) without surfactants. A specific set of machine learning tools was developed for well interpretable analysis of experimental data. These tools were used in three experimental stages to optimize the three functional characteristics of the synthesized sols changing by five synthesis parameters. The result is a, universal minimalist mechanism for guided synthesis, which allows the relationships between synthesis parameters and functional characteristics to be studied in various experiments.