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Updated: Jun 18, 2026

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
Published on: September 20, 2017
IPECnet: ML model for predicting the area of water solubility of interpolyelectrolyte complexes
Ilya V Grigoryan1,2, Liubov A Antiufrieva3, Anna P Grigoryan1,4
1Physics Department of Lomonosov Moscow State University, Leninskie Gory, 1-2, Moscow, 199991, Russia. grigorian.iv19@physics.msu.ru.
Abstract:
Interpolyelectrolyte complexes (IPECs) are known for years as classic representatives of smart polymers. The solubility of IPECs in water-salt media is driven by numerous factors connected with polymer component parameters and media composition. This work is devoted to the development of the world's first machine learning-based model for predicting the area of existence of water-soluble IPECs for solving biomedical problems. A new approach is proposed that takes into account both the physico-chemical properties of polyelectrolytes and the chemical structures of their monomeric units. The developed approach is universal and can be used to predict the properties of multicomponent systems of a different chemical nature. The results of the work were applied to select the composition of water-soluble IPECs for treatment of surfaces in order to create bactericidal coatings. The dataset and model structures are publicly available on GitHub.
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